Category: chlorides-buliding-blocks

Cyclosporine A Nanosuspensions for Ophthalmic Delivery: A Comparative Study between Cationic Nanoparticles and Drug-Core Mucus Penetrating Nanoparticles was written by Yan, Rong;Xu, Lai;Wang, Qiuhe;Wu, Zheng;Zhang, Hua;Gan, Li. And the article was included in Molecular Pharmaceutics in 2021.COA of Formula: C25H46ClN The following contents are mentioned in the article:

The effect of mucin on ocular bioavailability depends on the extent to which it acts as a barrier or retention site. Mucus penetrating particles (MPPs) can evade the mucus entrapment and associated rapid clearance, but cationic nanoparticles have high adhesion to the mucosa. Both formulations can prolong the drug residence time on the surface of the eyes. The purpose of this work is to compare the effects of mucoadhesion of cationic nanoparticles and mucous permeability of MPPs on ocular bioavailability. Cationic nanosuspensions and drug-core MPP nanosuspensions were developed using the anti-solvent precipitation method. The results of X-ray diffraction revealed that CsA was amorphous. In vitro mucoadhesion evaluation demonstrated that cationic nanosuspensions enhanced the interaction with pig mucin about 5.0-6.0 fold compared to drug-core MPP nanosuspensions. A mucus permeation study by the transwell diffusion system showed that the P_app values of drug-core MPP nanosuspensions were 5.0-10.0 times higher than those of cationic nanosuspensions. In vivo ocular bioavailability evaluation of those CsA formulations was conducted in rabbits using a conventional nanosuspension as a comparison. The CsA concentrations in the cornea following the administration of a cationic nanosuspension and a drug-core MPP nanosuspension were 13,641.10 ng/g and 11,436.07 ng/g, resp., significantly higher than that of the conventional nanosuspension (8310.762 ng/g). The results showed that both the cationic and MPP nanosuspensions were able to deliver CsA to anterior ocular tissues in effective therapeutic concentrations (10-20μg/g) with topical drop instillation. The cationic nanosuspension could achieve relatively higher bioavailability than the MPP nanosuspension. The cationic nanosuspension would be a promising ocular drug delivery system. This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9COA of Formula: C25H46ClN).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).COA of Formula: C25H46ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

How does coal interact with organic groups in an aqueous solution was written by Xu, Wennan;Li, Yuxin;Liu, Xin;Zhao, Yining;Li, Rui;Li, Hongliang. And the article was included in Fuel in 2022.Formula: C25H46ClN The following contents are mentioned in the article:

Interactions between coal matrix and organics are vital for adsorption, surfactant adsorption on lignite, and solid-liquid separation of coal slurry. Herein, for studying the interaction between hydrophobic surface (coal surface) and small mols. (organics), we measured interactions between organics [nitro and Ph, pyridine, Ph, alkyl chain (hexyl) or cycloalkyl (hexyl)] and the coal matrix (liptinite or inertinite) using at. force microscopy. The strength of interaction followed the order: nitro and Ph > pyridine > Ph >alkyl chain (hexyl)> cycloalkyl (hexyl), and liptinite > inertinite. The liptinite has a greater hydrophobicity than inertinite, the greater the attraction force. The lignite surface and coal slurry were modified in an aqueous solution using five surfactants (dodecyl tri-Me ammonium chloride, DTAC; hexadecyl tri-Me ammonium chloride, CTAC; octadecyl tri-Me ammonium chloride, STAC; hexadecyl di-Me benzyl ammonium chloride, HDBAC; and cetyl pyridine chloride, CPC). Subsequently, the moisture adsorption on treated lignite coal surface and the sedimentation of the treated tails was compared to characterize hydrophobic modifications which showed the order of CTAC > HDBAC > DTAC > CPC > STAC. Thus, the interaction between coal surface and organics needs to consider two rules: 1) The desolvation or the hydrophobic property of the coal surface; 2) The VDW force of the organics The nature of the difference between rules Number 1 and 2 is that with the size of hydrophobic mols. increased to a surface, the H-bond structure between water mols. in the around would change a lot, which formats great hydrophobic property or desolvation. Interaction between organic reagents and coal reveals the mechanism of restraining moisture reabsorption of lignite and solid-liquid separation of coal slurry by organics This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9Formula: C25H46ClN).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Formula: C25H46ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dual-functional gas hydrate inhibition of tetramethylammonium chloride for carbon dioxide-methane mixed gas systems was written by Moujdin, Iqbal Ahmed;Khan, Muhammad Saad;Lal, Bhajan;Abulkhair, Hani Abdullah;Alsaiari, Abdulmohsen. And the article was included in Fuel in 2021.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The present work deals with evaluating the dual-functional gas hydrate impact of tetramethylammonium chloride (TMACl) in the presence of different CO₂-CH₄ content mixed gas hydrate systems (30%CO₂+ 70%CH₄ , 50%CO₂+ 50%CH₄, and 70%CO₂+ 30%CH₄). A custom-made high-pressure gas hydrate reactor was used to acquire the temperature-pressure loops for the studied systems in the absence/presence of different concentrations of aqueous TMACl solutions via T-Cycle and isochoric constant cooling method for both THI and KHI investigations, resp. The electrolyte-based thermodn. model was also applied to validate the obtained HLwVE results for all the studied systems. The obtained results revealed that TMACl acts dual-functional (thermodn. and kinetic) hydrate inhibitor for high CO₂ content gas systems. The increased concentration of TMACl induces more shifts in HLwVE data with maximum variation attained at10 wt% concentration up to 1.46 K for a high CO₂ content methane system owing to the increased hydrogen bonding ability of TMACl. Moreover, TMACl delayed the hydrate formation up to 1.4 and1.5 folds for 274.0 and 277.0 K conditions for high CO₂ content mixed gas systems. Moreover, the applied electrolyte-based model could predict the HLwVE data of TMACl in the presence of a mixed gas system within the AAE value of 0.1% for all the studied mixed gas systems. Furthermore, the KHI performance of TMACl was also compared with com. inhibitor, i.e., polyvinyl pyrrolidone (PVP), and obtained comparable results. Therefore, the acquired dual-functional results (THI = 1.46 K, KHI = 1.5-fold delay) signpost that TMACl can efficiently work as a potential dual-functional hydrate inhibitor for CO₂ enriched mixed gas systems. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Category: chlorides-buliding-blocks).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Category: chlorides-buliding-blocks

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Cellulose polymers with β-amino ester pendant group: design, synthesis, molecular docking and application in adsorption of toxic metals from wastewater was written by Nairat, Noor;Hamed, Othman;Berisha, Avni;Jodeh, Shehdeh;Algarra, Manuel;Azzaoui, Khalil;Dagdag, Omar;Samhan, Subhi. And the article was included in BMC Chemistry in 2022.COA of Formula: ClLi The following contents are mentioned in the article:

Cellulose polymers with multidentate chelating functionalities that have high efficiency for toxic metal ions present in water were designed, synthesized, and analyzed. The synthesis was carried out by reacting microcrystalline cellulose extracted from the solid waste of the olive industry with tert-Bu acetoacetate (Cell-AA), produced cellulose with β-ketoester functionality was then reacted with aniline and the amino acid glycine to produce Cell-β-AN and Cell-β-GL, resp. The adsorption efficiency of the three polymers toward Pb(II) and various toxic metal ions present in sewage was evaluated as a function of adsorbent dose, time, temperature, pH value, and initial ion concentration to determine optimum adsorption conditions. The three polymers showed excellent efficiency toward about 20 metal ions present in a sewage sample collected from the sewer. The adsorption process follows the Langmuir adsorption isotherm model with a second-order of adsorption rate, the calculated qe values (2.675, 15.252, 20.856 mg/g) were close to the exptl. qe values (2.133, 13.91, 18.786 mg/g) for the three polymers Cell-AA, Cell-β-AG and Cell-β-AN, resp. Mol. Dynamic (MD) and Monte Carlo (MC) simulations were performed on the three polymers complexed with Pb(II). The waste material of the olive industry was used as a precursor for making the target cellulose polymers with β-Amino Ester Pendant Group. The polymer was characterized by SEM, proton NMR, TGA, and FT-IR spectroscopy. The efficacy of adsorption was quant. for metal ions present in a real sample of wastewater and the efficiency didn′t drop even after 7 cycles of use. The results indicate the existence of strong complexation. The thermodn. study results showed a spontaneous bonding between of Pb(II) and the polymers pendant groups expressed by the neg. value of the Gibbs free energy. This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8COA of Formula: ClLi).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.COA of Formula: ClLi

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Safety and Tolerability of Overdosed Artificial Tears by Abraded Rabbit Corneas was written by Daull, Philippe;Raymond, Elisabeth;Feraille, Laurence;Garrigue, Jean-Sebastien. And the article was included in Journal of Ocular Pharmacology and Therapeutics in 2018.SDS of cas: 122-18-9 The following contents are mentioned in the article:

Purpose: Preservative-free cationic emulsion-based artificial tear (AT) is an innovative eye drop based on the Novasorb technol. with cetalkonium chloride (CKC) as the cationic agent. The cationic emulsion Cationorm is designed for the management of mild-to-moderate dry eye disease (DED) patients that present cornea epithelium alterations. The aim of the present study was to evaluate the safety and tolerability of overdosed ATs by altered corneal epithelium in vivo and assess the usefulness of the ex vivo eye irritation test (EVEIT) as a predictive alternate toxicity test method. Methods: The exptl. procedure, treatment duration, and instillation frequency closely mimic in vivo the ex vivo protocol described by Pinheiro et al. and discussed in the section of this article. Two to 3-mo-old female New Zealand white rabbits, n = 6 per group, were treated with ATs (21 instillations/day over 3 days) following corneal abrasion. Corneal fluorescein staining, in vivo confocal microscopy (IVCM), and slit lamp examinations were performed to assess corneal epithelium recovery and the ocular tolerability of the overdosed ATs. Results: All abraded eyes experienced almost complete epithelium recovery within 3 days following treatments with Cationorm, Optive, Vismed, and Saline. Benzalkonium chloride (BAK, 0.02%) treatment resulted in 82.4% reepithelialization. IVCM data illustrated corneal epithelium normal recovery. Acute local tolerability of the overdosed ATs was confirmed using Draize and McDonald-Shadduck′s test scales. Conclusions: The different ATs were demonstrated to be well tolerated by abraded corneas in vivo, and the extreme overdosing regimen did not hamper the wound healing process of the rabbit eye in comparison to saline. These data did not confirm the ones obtained with the nonvalidated ex vivo eye irritation test. This study involved multiple reactions and reactants, such as N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9SDS of cas: 122-18-9).

N-Benzyl-N,N-dimethylhexadecan-1-aminium chloride (cas: 122-18-9) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.SDS of cas: 122-18-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chlorophylls Extraction from Spinach Leaves Using Aqueous Solutions of Surface-Active Ionic Liquids was written by Ferreira, Ana M.;Leite, Ana Claudia;Coutinho, Joao A. P.;Freire, Mara G.. And the article was included in Sustainable Chemistry in 2021.SDS of cas: 75-57-0 The following contents are mentioned in the article:

Chlorophylls and their derivatives have been extensively studied due to their unique and valuable properties, including their anti-mutagenic and anti-carcinogenic features. Nevertheless, high-purity-level chlorophylls extracted from natural sources are quite expensive because the methods used for their extraction have low selectivity and result in low yields. This study aimed to develop a “greener” and cost-effective technol. for the extraction of chlorophylls from biomass using aqueous solutions of ionic liquids (ILs). Several aqueous solutions of ILs, with hydrotropic and surface-active effects were evaluated, demonstrating that aqueous solutions of surface-active ILs are enhanced solvents for the extraction of chlorophylls from spinach leaves. Operating conditions, such as the IL concentration and solid-liquid ratio, were optimized by a response surface method. Outstanding extraction yields (0.104 and 0.022 weight% for chlorophyll a and b, resp., obtained simultaneously) and selectivity (chlorophyll a/b ratio of 4.79) were obtained with aqueous solutions of hexadecylpyridinium chloride ([C16py]Cl) at moderate conditions of temperature and time. These extraction yields are similar to those obtained with pure ethanol. However, the chlorophyll a/b ratio achieved with the IL aqueous solution is higher than with pure ethanol (3.92), reinforcing the higher selectivity afforded by IL aqueous solutions as viable replacements to volatile organic compounds and allowing the obtainment of more pure compounds Finally, the recovery and reuse of the solvent were evaluated by using a back-extraction step of chlorophylls using Et acetate. The results disclosed here bring new perspectives into the design of new approaches for the selective extraction of chlorophylls from biomass using aqueous solutions of surface-active ILs. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0SDS of cas: 75-57-0).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.SDS of cas: 75-57-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Waste heat recovery of two solar-driven supercritical CO₂ Brayton cycles: Exergoeconomic analysis, comparative study, and monthly performance was written by Khan, M. N.;Zoghi, Mohammad;Habibi, Hamed;Zanj, Amir;Anqi, Ali E.. And the article was included in Applied Thermal Engineering in 2022.COA of Formula: ClLi The following contents are mentioned in the article:

The waste heat from a supercritical Brayton cycle has a great potential to be recovered. However, there is a lack of research regarding the utilization of these cycles in multi-generation systems. In addition, different multi-generation systems based on supercritical Brayton cycles have not been compared in the literature. In the present study, two multi-generation configurations based on two supercritical Brayton cycles, namely regenerative (configuration 1) and recompression (configuration 2), are proposed and compared from thermodn. and exergoeconomic standpoints. In both configurations, an organic Rankine cycle, a domestic hot water heat exchanger, and an LiCl-H₂O absorption refrigeration system are employed to convert the waste heat of the two supercritical Brayton cycles into useful energy. Meanwhile, a thermoelec. generator is used instead of a condenser for efficient waste energy recovery of the organic Rankine cycle. The generated electricity by the organic Rankine cycle and thermoelec. generator is used to generate hydrogen in a proton exchange membrane electrolyzer. In addition, a direct integration method is employed to integrate the two supercritical Brayton cycles with a solar power tower as the heat source. The final results regarding the net output power, exergy efficiency, and economic performances of the two configurations reveal the superiority of configuration 2 over configuration 1. Net output power and exergy efficiency of configuration 2 are 6.55 MW and 4.06% points higher than configuration 1. Moreover, total cost rate and unit cost of products for configuration 2 are 0.4 $s^-1 and 10.03 $GJ^-1 lower than configuration 1. On the other hand, cooling, heating, and hydrogen rates of configuration 1 are resp. 2.93 MW, 4.23 MW, and 2.84 kgh^-1 higher than configuration 2. Moreover, the monthly anal. of the two systems for Dhahran city (26.3°N/50.2°E) as a case study indicates that the best thermodn. performance of the systems is achievable in Feb., June, and July. This study involved multiple reactions and reactants, such as Lithium chloride (cas: 7447-41-8COA of Formula: ClLi).

Lithium chloride (cas: 7447-41-8) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).COA of Formula: ClLi

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Au₃Pd₁ Nanodendrites with Hyperbranched Architectures: Green Synthesis at Room Temperature and Highly Selective Hydrogenation for 4-Nitrophenylacetylene was written by Yao, Kaisheng;Li, Tianjin;Zhao, Chenchen;Lu, Weiwei;Zhao, Shuang;Wang, Jianji. And the article was included in ACS Sustainable Chemistry & Engineering in 2020.Recommanded Product: N-Methyl-N,N-dioctyloctan-1-aminium chloride The following contents are mentioned in the article:

Conceiving a simple, green, and mild one-pot route to grow and construct anisotropic bimetallic 3D architectures with multilevel structures and promising functions is highly desirable and tech. important in many applications. Herein, a facile ionic liquid-modulated strategy is presented for the preparation of hyperbranched Au₃Pd₁ bimetallic nanodendrites (NDs) in aqueous solution at room temperature To implement this protocol, HAuCl₄ and Na₂PdCl₄ are used as precursors and ascorbic acid as a reductant, and a common ionic liquid 1-butyl-3-methylimidazolium chloride ([C₄mim]Cl) is utilized to direct the anisotropic growth of 3D Au₃Pd₁ NDs, which exhibits an eco-friendly feature. It is shown that the alloy Au₃Pd₁ NDs possess multilevel architectures, i.e., primary 3D large flowers (with diameters of about 2.5-4.0μm), secondary 2D leaves, tertiary sym. branches, and quaternary sym. petals. A series of factors influencing morphologies and properties of the products are investigated, and the results indicate that both [C₄mim]Cl and Au/Pd at. ratios are crucial to the formation of 3D Au₃Pd₁ NDs. Owing to the well-defined morphol. and probable electronic effects between Au and Pd, the 3D Au₃Pd₁ NDs display high catalytic selectivity and good durability toward stepwise hydrogenation of 4-nitrophenylacetylene with a 100% conversion and 99.5% selectivity to 4-nitrostyrene in the first step and then 100% conversion from 4-nitrostyrene and 96.7% selectivity to 4-nitroethylbenzene in the second step. It is believed that the well-defined 3D Au₃Pd₁ NDs would also exhibit promising applications in other catalysis and eletrocatalysis applications. The [C₄mim]Cl-modulated 3D Au₃Pd₁ nanodendrites exhibited high selectivity in stepwise hydrogenation of 4-nitrophenylacetylene to 4-nitrostyrene and then to 4-nitroethylbenzene. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Recommanded Product: N-Methyl-N,N-dioctyloctan-1-aminium chloride).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Recommanded Product: N-Methyl-N,N-dioctyloctan-1-aminium chloride

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Treatment of cyanide-bearing wastewater by the N263-TBP synergistic extraction system was written by Song, Yonghui;Li, Yifan;He, Xihong;Zeng, Xinhui;Zhou, Min;Liu, Gang;Zhou, Jiameng. And the article was included in Chemosphere in 2022.Application of 5137-55-3 The following contents are mentioned in the article:

In this study, a trioctylmethylammonium chloride (N263)- tri-Bu phosphate (TBP)-n-octanol-sulfonated kerosene (N263-T) synergistic extraction system and an N263-n-octanol-sulfonated kerosene (N263-O) system were used to treat cyanide (CN)-bearing wastewater. The extraction saturation capacity of the two systems was measured. The influences of the initial pH and phase ratio (O/A) of the two systems on extraction were compared and analyzed. Fourier transform IR (FTIR) spectroscopy, UV-visible (UV-Vis) spectroscopy, and slope methods were used to analyze the characteristic functional groups in the loaded organic phase, the compositions of the extracted compounds in the extraction reactions and the reaction mechanism. The results indicated that the saturated extraction capacity of the N263-T system, which was much larger than that of the N263-O system, for metal CN complex ions was 4354.31 mg/L. In addition, the N263-T system operated over a wider pH range. The extraction rates of copper (Cu), zinc (Zn), and iron (Fe) ions at pH 14 were 97.4%, 99.1%, and 87.2%, resp. There was a strong compatibilization effect of TBP on the extraction system. The extraction efficiency of the N263-T system for metal CN complex ions was higher than that of the N263-O system when O/A = 0.4. The saturated loaded N263-T and N263-O systems were stripped by 1 mol/L NaOH +2 mol/L NaSCN solution at O/A = 3. The metal ion concentration in the stripping solution could be enriched to 11996.6 and 8913.3 mg/L for the N263-T and N263-O systems, resp. During the extraction process, the binding ratios of N263 cations to Cu(CN)2-3, Zn(CN)2-4, and Fe(CN)3-6 were 2:1, 2:1, and 3:1, resp. The binding ratios of TBP to Cu(CN)2-3, Zn(CN)2-4, and Fe(CN)3-6 in wastewater were 3:1, 4:1, and 6:1, resp. The P=O group in TBP was linked to the CN group of the metal CN complex ion by hydrogen bonds using the water mol. as a bridge to form a supramol. anion group, which entered into the organic phase and combined with the N263 cation under the action of ion association This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3Application of 5137-55-3).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application of 5137-55-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Design and synthesis of pyrimidine-5-carbonitrile hybrids as COX-2 inhibitors: Anti-inflammatory activity, ulcerogenic liability, histopathological and docking studies was written by Alfayomy, Abdallah M.;Abdel-Aziz, Salah A.;Marzouk, Adel A.;Shaykoon, Montaser Sh. A.;Narumi, Atsushi;Konno, Hiroyuki;Abou-Seri, Sahar M.;Ragab, Fatma A. F.. And the article was included in Bioorganic Chemistry in 2021.Recommanded Product: 638-07-3 The following contents are mentioned in the article:

Two new series of 1,3,4-oxadiazole I [R = H, 4-F, 4-MeO, 4-Cl, 2,6-di-Cl; R¹ = Me, MeO, Cl] and coumarin derivatives II [R² = H, 4-F, 4-MeO, 4-Cl, 2,6-di-Cl; R³ = Me, MeO] and III [R⁴ = Cl, 4-methylpiperazin-1-yl] based on pyrimidine-5-carbonitrile scaffold were synthesized and evaluated for their COX-1/COX-2 inhibitory activity. Compounds I [R = 4-MeO, 2,6-di-Cl, R¹ = Cl; R = 4-Cl, 4-MeO, 2,6-di-Cl, R¹ = MeO], II [R² = 2,6-di-Cl, R³ = Me; R² = H, MeO, R³ = MeO] and III [R⁴ = 4-methylpiperazin-1-yl] were found to be the most potent and selective inhibitors of COX-2 (IC₅₀ 0.041-0.081μM, SI 139.74-321.95). Eight compounds were further investigated for their in-vivo anti-inflammatory activity. The most active derivatives I [R = 4-Cl, R¹ = Cl; R = 2,6-di-Cl, R¹ = MeO] and II [R² = 2,6-di-Cl, R³ = Me] displayed superior in-vivo anti-inflammatory activity (% edema inhibition 39.3-48.3, 1 h; 58.4-60.5, 2 h; 70.8-83.2, 3 h; 78.9-89.5, 4 h) to the reference drug celecoxib (% edema inhibition 38.0, 1 h; 48.8, 2 h; 58.4, 3 h; 65.4, 4 h). These derivatives were also tested for their ulcerogenic liability, compound I [R = 2,6-di-Cl, R¹ = MeO] showed better safety profile with reference to celecoxib while I [R = 4-Cl, R¹ = Cl] and II [R² = 2,6-di-Cl, R³ = Me] exhibited mild lesions. Mol. docking studies of I [R = 4-Cl, R¹ = Cl; R = 2,6-di-Cl, R¹ = MeO] and II [R² = 2,6-di-Cl, R³ = Me] in the COX-2 active site revealed similar orientation and binding interactions as selective COX-2 inhibitors with a higher liability to access the selectivity side pocket. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 638-07-3

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics