Category: chlorides-buliding-blocks

Martinez-Lopez, Yoan published the artcilePrediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors, Application of 3-Chloro-4-fluoronitrobenzene, the publication is Environmental Toxicology and Pharmacology (2017), 314-321, database is CAplus and MEDLINE.

Several descriptors from atom weighted vectors are used in the prediction of aquatic toxicity of set of organic compounds of 392 benzene derivatives to the protozoo ciliate Tetrahymena pyriformis (log(IGC50)^-1). These descriptors are calculated using the MD-LOVIs software and various Aggregation Operators are examined with the aim comparing their performances in predicting aquatic toxicity. Variability anal. is used to quantify the information content of these mol. descriptors by an information theory-based algorithm. Multiple Linear Regression with Genetic Algorithms is used to obtain models of the structure-toxicity relationships; the best model shows values of Q² = 0.830 and R² = 0.837 using six variables. The authors’ models compare favorably with other previously published models that use the same data set. The obtained results suggest that these descriptors provide an effective alternative for determining aquatic toxicity of benzene derivatives

Environmental Toxicology and Pharmacology published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application of 3-Chloro-4-fluoronitrobenzene.

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

Nadaf, Afra Quasar A. published the artcileDesign, synthesis and biological evaluation of novel N,4-diphenylthiazol-2-amine derivatives, Computed Properties of 3696-23-9, the publication is Medicinal Chemistry Research (2020), 29(3), 442-458, database is CAplus.

Novel N,4-diphenylthiazol-2-amine derivatives I (R¹ = Cl, OMe; R² = Br, NO₂; R³ = Et, i-Pr, n-Pr, s-Bu, octan-3-yl) were designed and synthesized employing Hantzsch method. The three-step reaction involved in the synthesis occurred at a faster rate with excellent yields in eco-friendly conditions. Single-crystal X-ray diffraction studies also confirmed the formation of title compds I. These compounds I were evaluated in vitro for their antimicrobial and anti-inflammatory activities. The results demonstrated that most of the tested compounds I showed potent antifungal activity. Interestingly, these compounds I also exhibited good anti-inflammatory and moderate antibacterial activity towards sensitive as well as resistant bacterial strains. In silico studies depicted their good binding affinity profile against S. aureus (PDB ID: 1AD4) and C. albicans (PDB ID: 1AI9).

Medicinal Chemistry Research 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, Computed Properties of 3696-23-9.

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

Presa, Andreu published the artcileNon-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity, Related Products of chlorides-buliding-blocks, the publication is Inorganic Chemistry (2016), 55(11), 5356-5364, database is CAplus and MEDLINE.

A diplatinum(II) complex was prepared from a new 1,2-dithienyl-ethene-based ligand containing N-methylimidazole groups as metal-binding units. Reaction of the ligand 1,2-bis[2-methyl-5-(1-methyl-1H-imidazol-2-yl)-3-thienyl]-cyclopentene (L2^H) with cis-dichlorobis(dimethylsulfoxido)platinum(II) generated the bimetallic complex trans-[Pt₂Cl₄(DMSO)₂(L2^H)] (1), whose DNA-interacting properties were studied using different techniques. Cytotoxicity assays with various cancer cell lines showed that this compound is active, with IC₅₀ values in the micromolar range. Surprisingly, the diplatinum(II) complex does not exhibit the anticipated photoswitching properties; indeed, UV irradiation does not lead to the photocyclization of the ligand L2^H or of the metal complex. Computational studies were performed and revealed significant differences in the electronic structure of L2^H compared with L1^H (i.e., 1,2-bis[2-methyl-5-(4-pyridyl)-3-thienyl]-cyclopentene, which exhibits photoswitching properties), in terms of the relevant MOs involved in the UV-visible absorption features, which ultimately is responsible for the inertia of L2^H toward photocyclization.

Inorganic 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 C15H14Cl2S2, Related Products of chlorides-buliding-blocks.

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

Zhang, Zhongsheng published the artcileStructure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei, COA of Formula: C7H8BClO2, the publication is RSC Medicinal Chemistry (2020), 11(8), 885-895, database is CAplus and MEDLINE.

Based on crystal structures of Trypanosoma brucei methionyl-tRNA synthetase (TbMetRS) bound to inhibitors, we designed, synthesized, and evaluated two series of novel TbMetRS inhibitors targeting this parasite enzyme. One series has a 1,3-dihydro-imidazol-2-one containing linker, the other has a rigid fused aromatic ring in the linker. For both series of compounds, potent inhibition of parasite growth was achieved with EC₅₀ < 10 nM and most compounds exhibited low general toxicity to mammalian cells with CC₅₀s > 20 000 nM. Selectivity over human mitochondrial methionyl tRNA synthetase was also evaluated, using a cell-based mitochondrial protein synthesis assay, and selectivity in a range of 20-200-fold was achieved. The inhibitors exhibited poor permeability across the blood brain barrier, necessitating future efforts to optimize the compounds for use in late stage human African trypanosomiasis.

RSC Medicinal Chemistry published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is 0, COA of Formula: C7H8BClO2.

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

Sobol, Marcin published the artcileCytotoxicity study of novel water-soluble chitosan derivatives applied as membrane material of alginate microcapsules, Synthetic Route of 4584-49-0, the publication is Journal of Biomedical Materials Research, Part A (2013), 101A(7), 1907-1914, database is CAplus and MEDLINE.

The majority of cell encapsulation systems applied so far are based on polyelectrolyte complexes of alginate and polyvalent metal cations. Although widely used, these systems suffer from the risk of disintegration. This can be partially solved by applying chitosan as addnl. outer membrane. However, chitosan can be dissolved in water only at a low pH, which limits its use in the field of bioencapsulation. In this study, novel primary and tertiary amine chitosan derivatives have been synthesized, which may be dissolved at pH 7.0, and retain the ability to effectively form addnl. membrane on the surface of alginate beads. As aqueous solutions tertiary amines dimethylamino-1-propyl-chitosan and dimethylethylamine-chitosan with linear hydrochloride aliphatic chains had the lowest toxicity, whereas dimethylpropylamine-chitosan, diethylaminoethyl-chitosan, and diisopropylaminoethyl-chitosan with branched hydrochloride aliphatic were cytotoxic to the majority of tested cells. When applied as polyelectrolyte complexation agent on the surface of alginate beads, none of the derivates had any neg. effect on the metabolic activity of encapsulated beta-cells. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A, 2013.

Journal of Biomedical Materials Research, Part A published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H7N3S3, Synthetic Route of 4584-49-0.

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

Lipkovska, N. A. published the artcileSpectral and Acid-Base Properties of Hydroxyflavones in Micellar Solutions of Cationic Surfactants, Product Details of C38H74Cl2N2O4, the publication is Journal of Applied Spectroscopy (2014), 81(4), 644-648, database is CAplus.

It has been shown that the spectral characteristics (intensity, position of the absorption band) and the acid-base properties in a series of structurally similar hydroxyflavones depend on the concentration of the cationic surfactants miramistin and decamethoxin in aqueous solutions and the extent of their changes is more pronounced for hydrophobic quercetin than for hydrophilic rutin. For the first time, we have determined the apparent dissociation constants of quercetin and rutin in solutions of these cationic surfactants (pK_a1) over a broad concentration range and we have established that they decrease in the series water-decamethoxin-miramistin.

Journal of Applied Spectroscopy 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, Product Details of C38H74Cl2N2O4.

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

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

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

Yu, Fei-Le published the artcilePd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers, COA of Formula: C10H15ClO3S, the publication is ACS Catalysis (2018), 8(4), 3317-3321, database is CAplus.

(E)-gem-Alkyl,aryl-disubstituted allyl carbonates can react with ketones under Pd catalysis using a com. available NHC ligand by suppressing the β-H elimination. Ketones with α-tertiary, β-quaternary carbon stereocenters were produced in high yields with high regio- and diastereoselectivities. Kinetic resolution of the reaction product via CBS reduction afforded the optically active ketone I as well as the alc. II with high enantioselectivity (S-factor = 35). The utility of the methodol. was also demonstrated by transformations of the reaction products.

ACS Catalysis published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C9H8BF3O2, COA of Formula: C10H15ClO3S.

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