Month: January 2023

Substituent effects of N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides on positive allosteric modulation of the metabotropic glutamate-5 receptor in rat cortical astrocytes was written by De Paulis, Tomas;Hemstapat, Kamondanai;Chen, Yelin;Zhang, Yongqin;Saleh, Samir;Alagille, David;Baldwin, Ronald M.;Tamagnan, Gilles D.;Conn, P. Jeffrey. And the article was included in Journal of Medicinal Chemistry in 2006.Reference of 1711-11-1 This article mentions the following:

CDPPB [3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide] was recently described as the first centrally active, pos. allosteric modulator of rat and human metabotropic glutamate receptor (mGluR) mGluR₅ subtype. We explored the structural requirements for potentiation of glutamate-induced calcium release in naturally expressed mGluR₅ in cultured rat astrocytes and increasing affinity for the allosteric antagonist binding site by evaluating 50 analogs of CDPPB. In the fluorometric calcium assay, CDPPB exhibited an EC₅₀ value of 77 ± 15 nM in potentiating mGluR₅-mediated responses in cortical astrocytes and a K_i value of 3760 ± 430 nM in displacing [³H]methoxyPEPy binding in membranes of cultured HEK-293 cells expressing rat mGluR₅. The structure-activity relationships showed that electroneg. aromatic substituents in the para-position of the benzamide moiety of CDPPB increase potency. Both binding and functional activities were further increased with a halogen atom in the ortho-position of the 1-Ph ring. These effects of substitution do not match those of either aromatic ring of MPEP [2-methyl-6-(phenylethynyl)pyridine] for the antagonist allosteric binding site. Combination of the optimal substituents and aromatic positions resulted in 4-nitro-N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)benzamide (VU-1545) showing K_i = 156 ± 29 nM and EC₅₀ = 9.6 ± 1.9 nM in the binding and functional assays, resp. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Reference of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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.Reference of 1711-11-1

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

Derivatives of 1-(2-(Piperidin-1-yl)ethyl)-1H-benzo[d]imidazole: Synthesis, Characterization, Determining of Electronic Properties and Cytotoxicity Studies was written by Akkoc, Senem. And the article was included in ChemistrySelect in 2019.Quality Control of 1-(Chloromethyl)-3-methylbenzene This article mentions the following:

A series of 1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazole derivatives I•X (R = CH₂CH₂OH, 2-MeC₆H₄CH₂, 1-naphthalenylmethyl, etc.; X = Br, Cl) were synthesized and fully characterized. The geometry optimization was carried out using the d. functional theory (DFT) method and the electronic properties of compounds I (R = CH₂CH₂OH; X = Br) and I (R = 2-MeC₆H₄CH₂; X = Cl) hydrochloride salts were calculated Furthermore, all the compounds were evaluated for their potential anticancer activity towards different human cell lines. While I (R = 1-naphthalenylmethyl; X = Cl) demonstrated important cytotoxic activity against human colorectal adenocarcinoma epithelial colon cell line (DLD-1) with an IC₅₀ value of 15.56 +/- 4.01 μM, compound I (R = 4-MeC₆H₄CH₂; X = Cl) hydrochloride showed the most anticancer activity towards human liver epithelial hepatocellular carcinoma cell line (HepG2) with IC₅₀ value of 15.16 μM. Moreover, microscopic examination of cells was done using Leica inverted microscopy and Olympus confocal microscope. Confocal images of DLD-1 and human normal epithelial virus transformed cell line (Beas-2B), which were treated with 20 μM of compounds, indicated that compounds I (R = 4-MeC₆H₄CH₂; X = Cl) hydrochloride and I (R = 1-naphthalenylmethyl; X = Cl) had more cytotoxic activity. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Quality Control of 1-(Chloromethyl)-3-methylbenzene).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. 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).Quality Control of 1-(Chloromethyl)-3-methylbenzene

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

Antibacterial activities against Ralstonia solanacearum and Xanthomonas oryzae pv. oryzae of 6-chloro-4-(4-substituted piperazinyl)quinazoline derivatives was written by Shao, Wu-Bin;Zheng, Yu-Tao;Liu, Jia-Min;Fu, Yi-Hong;Qi, Pu-Ying;Zhou, Xiang;Wu, Zhi-Bing;Wang, Pei-Yi;Yang, Song. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2020.COA of Formula: C8H9Cl This article mentions the following:

In this letter, a variety of simple 6-chloro-4-(4-substituted piperazinyl)quinazoline derivatives was prepared Preliminary bioassays revealed that these compounds showed good antibacterial activities toward phytopathogens Ralstonia solanacearum and Xanthomonas oryzae pv. oryzae (Xoo). Among these derivatives, compounds I [X = 2-MeC₆H₄CO, 3-NO₂C₆H₄CO, 4-FC₆H₄CO, 4-ClC₆H₄CO, 3,4-F₂C₆H₃CO, 3-NO₂-4-ClC₆H₃CO, 3-MeC₆H₄CH₂, 4-ClC₆H₄CH₂] exhibited potent inhibition effects against R. solanacearum with EC₅₀ within 4.60-9.94μg/mL, especially, compound I [X = 4-BrC₆H₄CO]5g exerted the strongest activity with EC₅₀ of 2.72μg/mL; compound I [X = 3-MeC₆H₄CH₂] possessed the best inhibitory activity toward Xoo with EC₅₀ of 8.46μg/mL. Subsequently, a good predictive three-dimensional quant. structure-activity relationship (3D-QSAR) model was constructed via CoMFA to direct the future structural modification and optimization. Furthermore, the pathogens’ topol. studies were performed to explore the possible antibacterial mechanism. Given their simple frameworks and facile synthesis, title compounds can serve as the potential antibacterial leads. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9COA of Formula: C8H9Cl).

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. 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: C8H9Cl

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

High performance polyamide TFC reverse osmosis membrane fabricated on co-deposition hydrophilic modified polyethylene substrate was written by Huang, Wei;Wang, Ziyin;Xie, Fei;Ding, Hanzhuo;Li, Wenxuan;Liang, Xiaokang;Ma, Xiaohua;Xu, Zhenliang. And the article was included in Desalination in 2022.SDS of cas: 4422-95-1 This article mentions the following:

The separation performance of polyamide (PA) thin film composite (TFC) membrane is critically influenced by the substrates. Numerical models and exptl. studies suggest that substrates with high porosity comprising small pores can effectively improve membrane performance. Here we report that a com. polyethylene (PE) micro-porous membrane with high porosity was chosen as substrate for fabricating PA TFC membrane. The PE substrate was modified by co-depositing the copolymers of gallic acid and γ-aminopropyltriethoxysilane to improve its bulk hydrophilicity. The porosity, pore size, morphol. and chem. properties of the modified PE substrates were characterized. The resultant PA TFC-PE membrane had a favorable water permeance of 2.33 ± 0.06 L m^-2 h^-1 bar^-1 as well as a high NaCl rejection of 99.0 ± 0.4% because of the suitable porosity, pore size and hydrophilicity for interfacial polymerization reaction. Our work is expected to provide an efficient way for the modification of hydrophobic porous membrane for fabricating PA TFC membrane. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1SDS of cas: 4422-95-1).

Trimesoylchloride (cas: 4422-95-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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).SDS of cas: 4422-95-1

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

Effective antimony removal from wastewaters using polymer modified sepiolite: Isotherm kinetic and thermodynamic analysis was written by Saleh, Tawfik A.;Tuzen, Mustafa;Sar, Ahmet. And the article was included in Chemical Engineering Research and Design in 2022.COA of Formula: C9H3Cl3O3 This article mentions the following:

Sepiolite was modified with polymer consisting of ethylenediamine(EDA)-trimesoyl chloride (TMC) to produce a highly effective sorbent for antimony (III) (Sb(III)) adsorption from aquatic solutions The EDA-TMC polymeric branches were grafted onto the surface of sepiolite by polymerization The surface morphol. and the main adsorptive chem. groups of the developed S/EDA-TMC sorbent were characterized by SEM, EDX, BET, and FTIR, anal. methods. The impact of the batch adsorption conditions on the adsorption performance was systematically studied by conducting a factorial design anal. While Langmuir and Freundlich isotherm models were employed with the non-linear equations to the removal data and the removal capacity of the prepared composite was estimated as 210.1 mg g^-1 based on the Langmuir due to relatively high correlation. The kinetic investigation results displayed that the pseudo-second-order kinetic model was well appropriate for characterizing Sb(III) removal mechanism. Also, thermodn. findings verified that the Sb(III) removal onto the composite adsorbent progressed exothermically and spontaneously with temperature increasing from 24° to 55°C. Besides, the produced adsorbent demonstrated still appreciated adsorption/desorption yield (80/76%) after the 7th cycle. Accordingly, the fabricated S/EDA-TMC material can be evaluated as a powerful sorbent in the cleaning of aqueous solutions containing Sb(III) pollutants. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1COA of Formula: C9H3Cl3O3).

Trimesoylchloride (cas: 4422-95-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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.COA of Formula: C9H3Cl3O3

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

Gemini-mediated self-disinfecting surfaces to address contact transmission of infectious diseases was written by Kim, MinJu;Linstadt, Roscoe T. H.;Ahn Ando, Kollbe;Ahn, Jinsoo. And the article was included in Langmuir in 2022.HPLC of Formula: 3386-33-2 This article mentions the following:

According to both the Center for Disease Control and the World Health Organization, contact transmission is the primary transmission route of infectious diseases worldwide. Usually, this is mitigated by a schedule of repeated regular sanitization, yet surfaces are easily re-contaminated in the interim between cleanings. One solution to this problem is to generate self-disinfecting surfaces that can display sustained virucidal/antimicrobial properties against pathogens that settle upon them. Quaternary ammonium organosilicon compounds are ideal candidates to achieve this; cationic surfactants are safe and well-established surface disinfectants, while organosilanes are used broadly to form durable coatings with altered surface properties on many different materials. Despite their potential to circumvent the disadvantages of traditional disinfection methods, extant com. available quaternary ammonium silanes do not display comparable efficacy to the standard surface disinfectants, nor have their resp. coatings been demonstrated to meet the Environmental Protection Agency’s guidelines for residual/extended efficacy. Inspired by the powerful surface activity of double-headed “gemini” surfactants, here, we present gemini-diquaternary silanes (GQs) with robust residual germicidal efficacy on various surfaces by incorporating a second cationic “head” to the structure of a conventional monoquaternary ammonium silane (MQ). Aqueous solutions of GQs were tested in suspension- and surface-antimicrobial assays against an array of pathogens, including Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). GQ performance was benchmarked against the common disinfectants, ethanol, hydrogen peroxide, hypochlorite, as well as MQ. Solutions of GQs were efficacious when used for immediate disinfection (>10⁶-fold reduction in 15 s). Addnl., GQs were demonstrated to impart durable self-disinfecting properties to a variety of porous and nonporous surfaces, effective after repeated cycles of abrasion and repeated contaminations, and with superior coating ability and activity (>10⁸ higher activity) than that of MQs. GQs as surface treatments show great promise to overcome the limitations of traditional disinfectants in preventing the spread of infectious diseases. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2HPLC of Formula: 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.HPLC of Formula: 3386-33-2

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

Preparation of polysulfone support for higher-performance reverse osmosis membranes was written by Takeuchi, Kenji;Cruz-Silva, Rodolfo;Fujishige, Masatsugu;Yanagisawa, Naomi;Kitazawa, Hidenori;Maeda, Jun;Endo, Morinobu. And the article was included in Journal of Environmental Chemical Engineering in 2022.Recommanded Product: Trimesoylchloride This article mentions the following:

We prepared a polysulfone (PSU) support by applying a coating of a PSU-N,N-dimethylformamide (DMF) solution on 91μm thick nonwoven and then set it in water (the phase inversion process). The prepared PSU-substrate sheet was 280 mm wide and 10 m long. We then investigated the effects of the preparation conditions (i.e., the concentration of the PSU-DMF solution and the coating thickness) on the water permeability of the resulting PSU support. The thickness of the PSU layer increased almost linearly with the increase in the coating thickness, and the water permeability decreased monotonically with the increase in the PSU layer’s thickness. A bubble point anal. revealed that the pore size dia. of the membranes was approx. 20-60 nm, depending on the PSU-DMF solution’s concentration Using these PSU membranes as the support, we prepared a reverse-osmosis (RO) membrane, the active layer of which consisted of aromatic polyamide (PA) that contained carbon nanotubes. The salt rejection rate 99.7% and water permeability at 0.56 L m^-2 h^-1 bar^-1 were achieved at 5.5 MPa for a 3.2% NaCl solution with the RO membrane, the support of which was prepared from a 17.0% PSU-DMF solution In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Recommanded Product: Trimesoylchloride).

Trimesoylchloride (cas: 4422-95-1) 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. 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).Recommanded Product: Trimesoylchloride

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

Synthesis and herbicidal activity of saflufenacil was written by Gao, Yong-chao;Chen, Ying-han;Zhou, Ding;Li, Lin. And the article was included in Nongyao in 2012.Formula: C8H6ClFO2 This article mentions the following:

Saflufenacil is a new kind of herbicide with excellent herbicidal activity. The aim is to study its synthesis, anal. method and evaluate herbicidal activity. Me 5-amino-2-chloro-4-fluorobenzoate (5) was produced from 2-chloro-4-fluorobenzoic acid by esterification, nitration and reduction, then reacted with triphosgene to give Me 2-chloro-4-fluoro-5-isocyanatobenzoate (6), 6 was cyclized with Et 3-amino-4,4,4-trifluorobut-2-enoate, then methylated, followed by hydrolysis to obtain 2-chloro-5-(2, 6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-l (6H)-yl)-4-fluorobenzoic acid (10), which was reacted with N-methyl-N-iso-Pr sulfamide to give target compound Overall yield was 6.26%. The chem. structures were confirmed by ¹H NMR, IR and MS. Purity was 99.8% by HPLC anal. The herbicidal activities of the target compound and purchased saflufenacil were compared. And the same results were obtained. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-4-fluorobenzoate (cas: 85953-29-3Formula: C8H6ClFO2).

Methyl 2-chloro-4-fluorobenzoate (cas: 85953-29-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Formula: C8H6ClFO2

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

Photocatalytic activation of N-chloro compounds for the chlorination of arenes was written by Hering, Thea;Koenig, Burkhard. And the article was included in Tetrahedron in 2016.SDS of cas: 698-01-1 This article mentions the following:

Photoredox catalysis activates N-chloramines and N-chloro-succinimide (NCS) for the electrophilic chlorination of arenes. The photooxidation of the nitrogen atom to a radical cation induces a pos. polarization on the chlorine atom, which results in a higher reactivity in electrophilic aromatic chlorination reactions. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1SDS of cas: 698-01-1).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.SDS of cas: 698-01-1

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

Structural basis for potent inhibition of D-amino acid oxidase by thiophene carboxylic acids was written by Kato, Yusuke;Hin, Niyada;Maita, Nobuo;Thomas, Ajit G.;Kurosawa, Sumire;Rojas, Camilo;Yorita, Kazuko;Slusher, Barbara S.;Fukui, Kiyoshi;Tsukamoto, Takashi. And the article was included in European Journal of Medicinal Chemistry in 2018.Safety of 2,5-Dichlorothiophene-3-carboxylic acid This article mentions the following:

A series of thiophene-2-carboxylic acids and thiophene-3-carboxylic acids were identified as a new class of DAO inhibitors. Structure-activity relationship (SAR) studies revealed that small substituents are well-tolerated on the thiophene ring of both the 2-carboxylic acid and 3-carboxylic acid scaffolds. Crystal structures of human DAO in complex with potent thiophene carboxylic acids revealed that Tyr224 was tightly stacked with the thiophene ring of the inhibitors, resulting in the disappearance of the secondary pocket observed with other DAO inhibitors. Mol. dynamics simulations of the complex revealed that Tyr224 preferred the stacked conformation irresp. of whether Tyr224 was stacked or not in the initial state of the simulations. MM/GBSA indicated a substantial hydrophobic interaction between Tyr244 and the thiophene-based inhibitor. In addition, the active site was tightly closed with an extensive network of hydrogen bonds including those from Tyr224 in the stacked conformation. The introduction of a large branched side chain to the thiophene ring markedly decreased potency. These results are in marked contrast to other DAO inhibitors that can gain potency with a branched side chain extending to the secondary pocket due to Tyr224 repositioning. These insights should be of particular importance in future efforts to optimize DAO inhibitors with novel scaffolds. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2Safety of 2,5-Dichlorothiophene-3-carboxylic acid).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Safety of 2,5-Dichlorothiophene-3-carboxylic acid

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