Month: February 2023

Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites was written by Munia, Nasrin S.;Hosen, Mohammed A.;Azzam, Khaldun M. A.;Al-Ghorbani, Mohammed;Baashen, Mohammed;Hossain, Mohammed K.;Ali, Ferdausi;Mahmud, Shafi;Shimu, Mst. S. S.;Almalki, Faisal A.;Hadda, Taibi B.;Laaroussi, Hamid;Naimi, Souad;Kawsar, Sarkar M. A.. And the article was included in Nucleosides, Nucleotides & Nucleic Acids in 2022.Recommanded Product: 76-83-5 This article mentions the following:

Novel uridine derivatives were designed and synthesized. The chem. structures and purity of these new uridine derivatives were confirmed by usual spectroscopic techniques. In vitro antimicrobial activity and SAR study was investigated. The incorporation of various aliphatic and aromatic groups in uridine structure significantly increased their biol. activity. PASS prediction anal. indicated that the compounds were less potent as anti-carcinogenic agents (0.31 < Pa < 0.52) than as antimicrobial agents. Mol. docking anal. showed that the novel uridine derivatives may possess excellent effectiveness for lanosterol 14a-demethylase CYP51A1 (3JUV) and Aspergillus flavus (1R⁴U). The stability of the docked complex was confirmed by performing mol. dynamics along with an estimation of MMPB/GBSA binding free energy which ensured that complex of some 5′-O-uridine derivatives were reported in improved dynamics stability as revealed by their uniform RMSD and RMSF profiles. In silico ADMET calculations predicted improved pharmacokinetic properties of all uridine derivatives The POM anal. showed the presence of an antifungal (O ^δ- — O′ ^δ-) pharmacophore site. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5Recommanded Product: 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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. 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: 76-83-5

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

Cationic palladium and platinum complexes with diolefin ligands was written by Eaborn, Colin;Farrell, Nicholas;Pidcock, Alan. And the article was included in Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) in 1976.COA of Formula: C10H10Cl2Pt This article mentions the following:

Cl-bridged complexes [M2L2Cl2][BF4]2 (M = Pt, Pd; L = cycloocta-1,5-diene, norborna-2,5-diene) were prepared from MLCl2 and [Et3O][BF4]. [Pd2L2Cl2][BF4]2 (L = cyclooctadiene) reacted with MeOH, AcOH, and H2O to give Pd2(2-RL1)2Cl2 (L1 = 5,6-η-cycloocta-5-enyl; R = MeO, AcO, HO), resp., but with PPh3, L was displaced to form [Pd2Cl2(PPh3)4][BF4]2. PPh3 reacted with the Pt analog to give [PtLCl(PPh3)][BF4]. [MLCl(PR3)]X [R3 = Ph3, Bu3, Me2Ph; X = SFO3, BF4, ClO4) were prepared from sym,trans-[M2Cl4(PR3)2], L, and SFO2(OMe)-C6H6, [Et3O][BF4]-CH2Cl2, and Na[ClO4]-Me2CO. In the experiment, the researchers used many compounds, for example, Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0COA of Formula: C10H10Cl2Pt).

Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0) 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. 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.COA of Formula: C10H10Cl2Pt

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

Analytical studies of synthesized silver nanoparticles and their applications in degradation of different pollutants was written by Ibraheem, Sujood Q.;Al-Abdullah, Zainab Ty. And the article was included in Journal of Chemical, Biological and Physical Sciences in 2019.Related Products of 3386-33-2 This article mentions the following:

Silver nanoparticles have been synthesized by the wet method using silver nitrate as the source of silver, glucose as the reducing agent, and trisodium citrate as a capping agent. The progress of the reaction was examined by observing change in color from colorless to yellow and finally to light brown. The synthesized silver nanoparticles were confirmed using UV-visible spectra the plasmon of silver nanoparticles at 400 nm, SEM images show the silver nanoparticles in the range (10-78 nm), and EDS-SEM zeta sizer and zeta potential anal. showed the distribution of nanoparticles in nano range, and zeta potential distribution of silver nanoparticles was a neg. value (-46.3 Mv), proof of the presence of silver ions. Silver nanoparticles were applied for degradation of methylene blue from water and also for degradation of crude oil (Iraqi aliphatic crude oil in Basra). Gas chromatograph-mass spectrometry (GC-MS) was used to examine the organic compounds before and after addition of silver nanoparticles to the crude oil. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Related Products of 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. 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.Related Products of 3386-33-2

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

Alkane and arene CH activation with a thermally, protic and oxidant stable iridium NNC pincer complex was written by Young, Kenneth J. H.;Oxgaard, Jonas;Stewart, Timothy;Goddard, William A. III;Periana, Roy A.. And the article was included in Preprints of Symposia – American Chemical Society, Division of Fuel Chemistry in 2008.Recommanded Product: Chlorobis(ethylene)iridium(I) dimer This article mentions the following:

A discrete, protic, and thermally stable trans-(Cl,Et)-(NNC)IrCl(C₂H₄)Et complex, where NNC = 6-phenyl-4,4′-bis(di-tert-butyl)-2,2′-bipyridine, was designed and prepared and evaluated as catalyst in reactions of methane and other linear and cyclic alkanes. To prevent formation of the chloro-bridged dinuclear species, the Cl ligand was replaced with CF₃CO₂^– group by treatment with Ag-TFA (trifluoroacetate), to obtain the Ir(NNC)(Et)(TFA)(C₂H₄) complex. Catalytic H-D exchange reactions catalyzed by the complexes, were quantified by monitoring the increase of deuterium into the alkane by GC-MS analyses. In the experiment, the researchers used many compounds, for example, Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1Recommanded Product: Chlorobis(ethylene)iridium(I) dimer).

Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: Chlorobis(ethylene)iridium(I) dimer

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

A method for the analysis of 121 multi-class environmental chemicals in urine by high-performance liquid chromatography-tandem mass spectrometry was written by Zhu, Hongkai;Chinthakindi, Sridhar;Kannan, Kurunthachalam. And the article was included in Journal of Chromatography A in 2021.Synthetic Route of C13H9Cl3N2O This article mentions the following:

Biomonitoring of human exposure to environmental chems. has gained momentum in recent years. Biomonitoring methods often include anal. of a single class of chems. with similar chem. properties. In this study, we describe a method that involves solid-phase extraction (SPE) coupled with liquid chromatog.-tandem mass spectrometry (LC-MS/MS) and capable of measuring 121 environmental chems. comprising plasticizers (PMs; n = 45), environmental phenols (EPs; n = 45), and pesticides (n = 31) through a single extraction of urine. Urine samples were incubated with 20 μL of β-glucuronidase/arylsulfatase (4000 units/mL urine) (from Helix pomatia) buffered at pH 5.5 for 2 h at 37 °C for optimal deconjugation conditions. We compared two extraction methods, namely liquid-liquid extraction and SPE, and the latter with ABS Elut NEXUS cartridges was optimized to yield best extraction efficiencies. For increased resolution and chromatog. separation, two methods involving Ultra AQ C18 and Betasil C18 columns were used. The MS/MS analyses were performed under both neg. and pos. ionization modes. The optimized method yielded excellent intra- and inter-day variabilities (relative standard deviation: 0.40-11%) and satisfactory recoveries (80-120%) for >95% of the analytes. The limits of detection were ≤ 0.1 ng/mL for 101 analytes and between 0.1 and 1.0 ng/mL for 18 analytes. The optimized SPE LC-MS/MS method was validated through the anal. of standard reference materials and proficiency test urine samples and further applied in the anal. of 21 real urine samples to demonstrate simultaneous determination of 121 environmental chems. in urine samples. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Synthetic Route of C13H9Cl3N2O).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Synthetic Route of C13H9Cl3N2O

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

Studies of thiomorpholine derivatives. III. Reaction of 2-substituted-3-oxoperhydro-2H-1,4-thiazine-5-carboxylic acids and their methyl esters with sulfuryl chloride was written by Muro, Tomio. And the article was included in Yakugaku Zasshi in 1982.SDS of cas: 7476-66-6 This article mentions the following:

Each diastereomer was isolated from a mixture of (2R,5R)-I and (2S,5R)-I, which was derived from L-cysteine, by using SOCl₂ and their stereostructure was clarified by NMR. When each diastereomer I was treated with equivalent SO₂l₂, (1S,4R)-II was obtained. The reaction of thiazinecarboxylates III (R = Et, Me₂CH) with SO₂Cl₂ afforded alkylidene-thiazinecarboxylates IV (R¹ = H, Me). The reaction of (5R)-III (R = Ph) with SO₂Cl₂ gave [PhCOCONHCH(CO₂Me)CH₂S]₂ and (2R,5R,2′S,5′S)-V. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6SDS of cas: 7476-66-6).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.SDS of cas: 7476-66-6

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

Preparation of composite Langmuir-Blodgett films based on carbon spheres and wide applications for acid/alkaline gas sensor, surface enhanced Raman scattering and photoelectrics was written by Li, Guohua;Bian, Pengfei;Wang, Ran;Li, Yan;Cao, Huiju;Zhang, Senlin;Hao, Zongshuo;Wang, Mingli;Jiao, Tifeng. And the article was included in Colloids and Surfaces, A: Physicochemical and Engineering Aspects in 2022.HPLC of Formula: 61-73-4 This article mentions the following:

Through this study, a variety of carbon spheres/dye (CS/dye) composite films were prepared based on the Langmuir-Blodgett (LB) technol. The prepared CS/dye composite films were tested for acid and alkali gases discoloration characteristics. The CS/CR composite film shows good acid/alk. gas sensing performances, and its characteristic absorption peaks have a significant movement in the UV-vis spectrum. In addition, the surface enhancement of the Raman scattering (SERS) experiment proves the good Raman enhancement performance of the prepared composite LB film with the enhanced factor (EF) of 8.5 x 10⁴. The relative standard deviation of Raman intensity is 24.74%, indicating the good reproducibility and uniformity of composite film, which makes it applicable to the detection of trace mols. Furthermore, the CS/NR composite film has a c.d. of 1217μA/cm² when the potential voltage is 1 V, indicating that the composite film has a high carrier transfer rate, which provides a reference for further exploration of optoelectronic devices of CSs system. In the experiment, the researchers used many compounds, for example, 3,7-Bis(dimethylamino)phenothiazin-5-ium chloride (cas: 61-73-4HPLC of Formula: 61-73-4).

3,7-Bis(dimethylamino)phenothiazin-5-ium chloride (cas: 61-73-4) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. 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.HPLC of Formula: 61-73-4

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

Isolation and identification of chemical constituents from various polar solvent crude leaf, stem and root extracts of endemic – Pogostemon Speciosus Benth of the Nilgiri was written by Jeyaraman, S.;Rajeshkumar, S.;Nisha, M. C.;Kalimuthu, K.;Vajjiram, Chinnadurai. And the article was included in World Journal of Pharmaceutical Research in 2018.Computed Properties of C18H37Cl This article mentions the following:

Pogostemon speciosus Benth is endemic ethno medicinal plant, belongs to the family Lamiaceae found in Anamalai and Nilgiri hills of South Western Ghats, India. The present study was to anal. the secondary metabolites by preliminary phytochem. screening of the leaf (PSLPE, PSLEA, and PSLE), stem (PSSPE, PSSEA, PSSE) and root (PSRPE, PSREA, PSRE) petroleum ether, Et acetate and ethanol extracts by different test. Identification of the phytocompound through FTIR and GCMS from leaf, stem and root ethanol extracts (PSLE, PSSE, PSRE). Among these extracts, the ethanol extracts of leaf, stem and root showed the presence of majority of the metabolites when compared to other extracts FTIR anal. of PSLE, PSSE and PSRE revealed the presence of 6, 5, 7 major bonds resp. The important bioactive compounds present in PSLE are Caryophyllene, 1-Naphthalenol, Alpha.-bisabolol, N-Hexadecanoic acid, Phytol, Hexatriacontane, 2-Tetracosahexaene, Dotriacontane, and Butyl-4(adamantyl-1) benzene, in PSSE extract Caryophyllene, Alpha.-bisabolol, 2H Pyran, Flopropione, Phytol isomer and Dotriacontane. The bioactive compounds present in PSRE extract are Caryophyllene, Heneicosane, 2H Pyran, Dotriacontane with anti-inflammatory, antifungal, antioxidant, antitumor, antibacterial, anti-asthmatics, drugs for skeletal disorders, bronchodilators, antispasmodic, hypocholesterolemic, nematicide, pesticide, anti-inflammatory, cytotoxic bioactivity. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Computed Properties of C18H37Cl).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Computed Properties of C18H37Cl

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

Iridium(I)- and Rhodium(I)-Olefin Complexes Containing an α-Diimine Supporting Ligand was written by Kovach, James;Golisz, Suzanne R.;Brennessel, William W.;Jones, William D.. And the article was included in Organometallics.Name: Chlorobis(ethylene)iridium(I) dimer This article mentions the following:

Iridium(I) complexes of the type IrX(olefin)(α-diimine) (α-diimine = 1,4-bis(2,6-xylyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene; X = Cl, I, Me, O₂CCF₃; olefin = ethylene, cyclooctene (COE)) were synthesized from the readily available precursor [IrCl(COE)₂]₂. These complexes display unusual ¹H NMR spectra and have large UV-vis extinction coefficients NOESY and HSQC NMR experiments were used to provide rigorous NMR spectral assignments, and IrCl(C₂H₄)(α-diimine), 1, and IrCl(COE)(α-diimine), 4, were structurally characterized by X-ray crystallog. The related rhodium complex [RhCl(α-diimine)]₂, 6, was also synthesized and characterized by NMR and X-ray crystallog. 6 was observed to be in equilibrium with RhCl(C₂H₄)(α-diimine), 7, under an ethylene atm. In the experiment, the researchers used many compounds, for example, Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1Name: Chlorobis(ethylene)iridium(I) dimer).

Chlorobis(ethylene)iridium(I) dimer (cas: 39722-81-1) 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. 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.Name: Chlorobis(ethylene)iridium(I) dimer

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

Design and synthesis of novel 1,3,4-oxadiazole sulfone compounds containing 3,4-dichloroisothiazolylamide moiety and evaluation of rice bacterial activity was written by Xiang, Jie;Liu, Dengyue;Chen, Jixiang;Hu, Deyu;Song, Baoan. And the article was included in Pesticide Biochemistry and Physiology in 2020.SDS of cas: 620-19-9 This article mentions the following:

In this study, thirty 1,3,4-oxadiazole sulfone derivatives containing 3,4-dichloroisothiazolamide moiety I [X = CH₂, R¹ = H, Me; X = CH₂CH₂, R¹ = H; R² = Me, i-Pr, PhCH₂, thiophen-3-ylmethyl, etc.] were designed and synthesized and their antibacterial activities were evaluated. Bioassay results showed that some compounds exhibited excellent antibacterial activities against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas oryzae pv. oryzicola (Xoc) in vitro and in vivo. Notably, the EC₅₀ values of compounds I (X = CH₂; R¹ = H; R² = Et, n-Pr) against Xoo were 0.79 and 0.85μg/mL, resp., which were superior to those of the control agents isotianil, bismerthiazol and thiodiazole copper. In addition, in vivo antibacterial activities revealed that the compound I (X = CH₂; R¹ = H; R² = Et) at 50μg/mL possessed protective and curative activities of 43.99% and 41.06% against Xoo, resp., which were better than pos. controls. Furthermore, the preliminary mechanism study disclosed that this compound exhibited effective antibacterial activity against Xoo by inhibiting the formation of extracellular polysaccharides from Xoo, increasing cell permeability and changing the shape of cells. This study suggested that 1,3,4-oxadiazole sulfone derivatives containing 3,4-dichloroisothiazolamide moiety displayed excellent antibacterial activity and could be further explored and developed as com. pesticides. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9SDS of cas: 620-19-9).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.SDS of cas: 620-19-9

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