Month: November 2022

Kathade, Prasad P. published the artcileSynthesis of new thiazole derivatives and evaluation of their antimicrobial potential, Safety of 1-(4-Chlorophenyl)thiourea, the publication is World Journal of Pharmacy and Pharmaceutical Sciences (2018), 7(6), 1362-1379, database is CAplus.

The new thiazole derivatives I [R = H, Me, Cl; R¹ = H, Cl, Br] was synthesized by reaction of phenacyl bromides and N-Ph thioureas. In first step substituted acetophenone was allowed to react with bromine in the presence of AlCl₃ gave phenacyl bromide derivatives In second step substituted anilines were reacted with ammonium thiocyanate in the presence of HCl and water which refluxed for about 3-4 h gave various derivatives of N-Ph thiourea. Antibacterial screening of newly synthesized compounds I was carried out against E. coli, S. aureus and antifungal activity against A. niger according to cup-plate method. The synthesized compounds I were more effective against S. aureus and E. coli. and Compound I [R = Me; R¹ = Cl] is effective against A. niger.

World Journal of Pharmacy and Pharmaceutical Sciences published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Safety of 1-(4-Chlorophenyl)thiourea.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kovtun, E. A. published the artcileStudy of the kinetics of release of decametoxin from modified surgical sutures in aqueous medium, Safety of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Fibre Chemistry (Translation of Khimicheskie Volokna) (1999), 31(5), 374-379, database is CAplus.

The studies showed that Decametoxin is released from thread in amounts not exceeding the standards issued by the Pharmacol. Committee of the USSR Ministry of Health. The rate of release of Decametoxin from the thread decreases in time; according to the data from the extraction-photometric method, the rate of “release” of Decametoxin is constant and maximum for up to 24 h, and according to the calculation based on weight loss, the rate slows according to a logarithmic law and is maximum for up to 6 h. The concentration of Decametoxin in the region of the suture will probably be maximum for two days. Decametoxin does not form chem. bonds with BF-6 adhesive or polycaproamide, but the polymer coating of the thread acts as a microdispenser of the antimicrobial.

Fibre Chemistry (Translation of Khimicheskie Volokna) published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Safety of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lee, Yeosan published the artcileChemoselective Coupling of 1,1-Bis[(pinacolato)boryl]alkanes for the Transition-Metal-Free Borylation of Aryl and Vinyl Halides: A Combined Experimental and Theoretical Investigation, Recommanded Product: 2-(3-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is Journal of the American Chemical Society (2017), 139(2), 976-984, database is CAplus and MEDLINE.

A new transition-metal-free borylation of aryl and vinyl halides using 1,1-bis[(pinacolato)boryl]alkanes as boron sources is described. In this transformation one of the boron groups from 1,1-bis[(pinacolato)boryl]alkanes is selectively transferred to aryl and vinyl halides in the presence of sodium tert-butoxide as the only activator to form organoboronate esters. Under the developed borylation conditions, a broad range of organohalides are borylated with excellent chemoselectivity and functional group compatibility, thus offering a rare example of a transition-metal-free borylation protocol. Exptl. and theor. studies have been performed to elucidate the reaction mechanism, revealing the unusual formation of Lewis acid/base adduct between organohalides and α-borylcarbanion, generated in situ from the reaction of 1,1-bis[(pinacolato)boryl]alkanes with an alkoxide base, to facilitate the borylation reactions.

Journal of the American Chemical Society published new progress about 1688649-04-8. 1688649-04-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronate Esters, name is 2-(3-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C13H18BClO2, Recommanded Product: 2-(3-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Mahmoudi, Yaser published the artcileNew potent antifungal triazole alcohols containing N-benzylpiperazine carbodithioate moiety: Synthesis, in vitro evaluation and in silico study, Related Products of chlorides-buliding-blocks, the publication is Bioorganic Chemistry (2019), 103060, database is CAplus and MEDLINE.

A number of 1H-1,2,4-triazole alcs. containing N-(halobenzyl)piperazine carbodithioate moiety were designed and synthesized as potent antifungal agents. In vitro bioassays against different Candida species including C. albicans, C. glabrata, C. parapsilosis, C. krusei, and C. tropicalis revealed that the N-(4-chlorobenzyl) derivative(I) with MIC values of 0.063-0.5μg/mL had the best profile of activity, being 4-32-fold more potent than fluconazole. Docking simulation studies confirmed the better fitting of I deriv in the active site of lanosterol 14α-demethylase (CYP51) enzyme, the main target of azole antifungals. Particularly, the potential of I against fluconazole-resistant isolates along with its minimal toxicity against human erythrocytes and HepG2 cells make this prototype compound as a good lead for discovery of potent and safe antifungal agents.

Bioorganic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Juhas, Martin published the artcileImproving Antimicrobial Activity and Physico-Chemical Properties by Isosteric Replacement of 2-Aminothiazole with 2-Aminooxazole, SDS of cas: 6313-54-8, the publication is Pharmaceuticals (2022), 15(5), 580, database is CAplus and MEDLINE.

Antimicrobial drug resistance is currently one of the most critical health issues. Pathogens resistant to last-resort antibiotics are increasing, and very few effective antibacterial agents have been introduced in recent years. The promising drug candidates are often discontinued in the primary stages of the drug discovery pipeline due to their unspecific reactivity (PAINS), toxicity, insufficient stability, or low water solubility In this work, we investigated a series of substituted N-oxazolyl- and N-thiazolylcarboxamides of various pyridinecarboxylic acids. Final compounds were tested against several microbial species. In general, oxazole-containing compounds showed high activity against mycobacteria, especially Mycobacterium tuberculosis (best MIC_H37Ra = 3.13 μg/mL), including the multidrug-resistant strains. Promising activities against various bacterial and fungal strains were also observed None of the compounds was significantly cytotoxic against the HepG2 cell line. Exptl. measurement of lipophilicity parameter log k′_w and water solubility (log S) confirmed significantly (typically two orders in logarithmic scale) increased hydrophilicity/water solubility of oxazole derivatives in comparison with their thiazole isosteres. Mycobacterial β-ketoacyl-acyl carrier protein synthase III (FabH) was suggested as a probable target by mol. docking and mol. dynamics simulations.

Pharmaceuticals published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, SDS of cas: 6313-54-8.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Dharman, Prabu published the artcileA facile synthesis of novel 5-substituted pyridine 2 carboxamide derivatives and their biological evaluation and 3D QSAR studies, Safety of (4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid, the publication is Journal of the Chinese Chemical Society (Weinheim, Germany) (2019), 66(4), 415-426, database is CAplus.

A variety of novel 5-substituted pyridine 2 carboxamides were designed and synthesized using both normal and solvent-free microwave (MW) irradiation techniques. The results revealed that MW protocol proceeded smoothly under mild reaction conditions in short reaction times, thus avoiding the use of toxic organic solvents. Structural elucidation of the synthesized compounds was carried out on the basis of various spectroscopic methods, such as ¹H NMR, ¹³C NMR, LCMS, and IR. The synthesized compounds were evaluated for their in vitro antimicrobial activity (MIC) using the agar disk diffusion method. Among the various synthetic compounds, compound 3b showed higher potential activity against Escherichia coli than the other compounds The order of activity against E. coli of the studied compounds is 3b > 3e > 3g > 3h > 3d > 3c > 3a > 3f. Addnl., 2D and 3D structural features of the synthesized derivatives were recognized by the 3D-QSAR model. This validated model exhibited good internal (r², 0.924) and external prediction (r²pred, 0.851) correlation. The results of QSAR studies concluded that Alog P, the number of hydrogen bond acceptors, and the number of rotatable bonds were necessary features for the activity of the pyridine carboxamide derivatives

Journal of the Chinese Chemical Society (Weinheim, Germany) published new progress about 944129-07-1. 944129-07-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester,, name is (4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid, and the molecular formula is C7H7BClFO3, Safety of (4-Chloro-2-fluoro-3-methoxyphenyl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Strizhak, Alexander V. published the artcileDiarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction, Computed Properties of 219537-97-0, the publication is Organic & Biomolecular Chemistry (2020), 18(28), 5359-5369, database is CAplus and MEDLINE.

Analogs of the known inhibitor (peptide pDI) of the p53/MDM2 protein-protein interaction are reported, which are stapled by linkers bearing a photoisomerizable diarylethene moiety. The corresponding photoisomers possess significantly different affinities to the p53-interacting domain of the human MDM2. Apparent dissociation constants are in the picomolar-to-low nanomolar range for those isomers with diarylethene in the “open” configuration, but up to eight times larger for the corresponding “closed” isomers. Spectroscopic, structural, and computational studies showed that the stapling linkers of the peptides contribute to their binding. Calorimetry revealed that the binding of the “closed” isomers is mostly enthalpy-driven, whereas the “open” photoforms bind to the protein stronger due to their increased binding entropy. The results suggest that conformational dynamics of the protein-peptide complexes may explain the differences in the thermodn. profiles of the binding.

Organic & Biomolecular Chemistry published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C4Br2N2O4S, Computed Properties of 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Devaud, Marguerite published the artcileElectrochemical reduction of 1-chloroalkylphosphonates in the presence of various electrophiles, Application of Diethyltrichloromethylphosphonate, the publication is Journal of Chemical Research, Synopses (1991), 120-1, database is CAplus.

The electroreduction of dichloromethylene bis(di-Et phosphonate) was studied in the presence of various electrophiles protons, alkyl iodides and carbonyl compounds The electroreduction of di-Et (trichloromethyl)phosphonate with and without benzaldehyde is also described.

Journal of Chemical Research, Synopses published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application of Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Moya, Sergio E. published the artcileExplanation for the Apparent Absence of Collapse of Polyelectrolyte Brushes in the Presence of Bulky Ions, Computed Properties of 23616-79-7, the publication is Journal of Physical Chemistry B (2007), 111(25), 7034-7040, database is CAplus and MEDLINE.

The conformational behavior of poly[2-(methacryloyloxy)ethyltrimethylammonium chloride] (PMETAC) brushes with different chain d. in the presence of large benzyltributylammonium chloride (BTBAC) ions was studied by a Quartz Crystal Microbalance with Dissipation (QCM-D) and Scanning Force Microscopy. Dense brushes do not collapse in the presence of BTBAC solutions of increasing ionic strength, contrary to what is observed in the presence of NaCl. Brush collapse can be observed for low-ionic-strength solutions of BTBAC when the brush d. was reduced. These phenomena can be explained by considering the Hofmeister series and ion size and free space in the brush.

Journal of Physical Chemistry B published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Computed Properties of 23616-79-7.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Epple, Robert published the artcile1,3,5-Trisubstituted aryls as highly selective PPARδ agonists, HPLC of Formula: 33697-81-3, the publication is Bioorganic & Medicinal Chemistry Letters (2006), 16(11), 2969-2973, database is CAplus and MEDLINE.

A series of highly potent and selective PPARδ agonists is described using the known non-selective ligand GW2433 as a structural template. Compound 1 is bioavailable, potent (10 nM), and shows no cross-activity with other PPAR subtypes up to 10 μM, making it a useful tool in studying the biol. effects of selective PPARδ activation.

Bioorganic & Medicinal Chemistry Letters published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, HPLC of Formula: 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics