Month: December 2022

Tripathi, P. N. published the artcileToxicological study of nitrobenzene derivatives against tetrahymena pyriformis using topological parameters, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Chemical and Pharmaceutical Research (2014), 6(5), 848-854, 7 pp., database is CAplus.

Eight topol. descriptors namely molar refractivity, solvent accessible surface area (SASA), shape index (order-1), shape index (order-2), shape index (order-3), valence connectivity index (order-0), valence connectivity index (order-1) and valence connectivity index (order-2) of fifty four nitrobenzene derivatives have been calculated with the help of CAChe Pro of Fujitsu software. Observed toxicities of all compounds are in terms of -log (IGC50), mM, which is the inverse logarithm of the concentration causing 50% growth inhibition of Tetrahymena pyriformis after 40 h. These eight descriptors have been used in developing QSTR models with the help of multi linear regression (MLR) anal. The quality of regression has been adjudged by correlation coefficient, cross validation coefficient and statistical parameters like standard error, standard error of estimate, degrees of freedom etc. The QSTR model developed from descriptors molar refractivity, solvent accessible surface area, shape index (order-1) and valence connectivity index (order-2) have very high predictive power and can be used to find out the toxicity of any new derivative of nitrobenzene. Reliable QSTR model has been obtained from single descriptor shape index (order-1) which is also present in all best four QSTR models. Therefore, shape index (order-1) appears an important descriptor for the toxicol. study of nitrobenzene derivatives

Journal of Chemical and Pharmaceutical Research 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 C20H32B2O4, Name: 3-Chloro-4-fluoronitrobenzene.

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

Shrivash, Manoj K. published the artcileIn-silico designing, chemical synthesis, characterization and in-vitro assessment of antibacterial properties of some analogues of curcumin, SDS of cas: 23616-79-7, the publication is Microbial Pathogenesis (2018), 89-97, database is CAplus and MEDLINE.

In the present work two key regulator proteins, monomeric MipZ of Caulobacter vibrioides (similar to Pseudomonas aeruginosa) and Pyruvate kinase of Staphylococcus aureus were docked with curcumin, the wonder mol. from the spice turmeric and structures of its twelve analogs were designed, synthesized and tested in-vitro for antibacterial activity. Based on the test results a comparative account of the probable mechanism has been given Two major alternative targets are possible for antibacterial activity of drug mols. These may be bacterial cell wall lipids or the proteins responsible for smooth functioning of bacterial cells. In the former case, due to significant difference in the structural components of the cell walls of Gram pos. and Gram neg. bacteria, it is improbable that same ligand will affect both equally. Majority of com. drugs are anti-Gram neg. bacteria while in the present work we have found most effective drugs against Gram pos. bacteria. Based on the test results a comparative account of the probable mechanism has been given. Evidently along with the cell wall damaging mechanism other parallel mechanisms are also operative.

Microbial Pathogenesis 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 C5H6BNO2, SDS of cas: 23616-79-7.

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

Sahoo, Prangya Rani published the artcileOxidation of phenylthioureas by cetyltrimethylammonium permanganate: a kinetic study, Formula: C7H7ClN2S, the publication is Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry (2014), 53A(2), 174-178, database is CAplus.

Phenylthioureas have been subjected to oxidation in acetonitrile medium in neutral condition to investigate the oxidation behavior of cetyltrimethylammonium permanganate on multifunctional groups. The oxidation product in each reaction is found to be the corresponding phenylurea. The rate of reaction is dependent on [CTAP], [phenylthiourea], [surfactant] and reaction temperature A Michaelis-Menten type kinetics is observed with respect to the substrate. A reaction mechanism involving the formation of a cyclic intermediate in the slow step is proposed for the oxidation reaction.

Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry 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, Formula: C7H7ClN2S.

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

Nagarajaiah, Honnappa published the artcileMechanochemical solid-state synthesis of 2-aminothiazoles, quinoxalines and benzoylbenzofurans from ketones by one-pot sequential acid- and base-mediated reactions, Computed Properties of 3696-23-9, the publication is Organic & Biomolecular Chemistry (2016), 14(17), 4129-4135, database is CAplus and MEDLINE.

Mechanochem. solid-state synthesis of 2-aminothiazoles, 2-hydrazinylthiazoles, quinoxalines and benzoylbenzofurans via one-pot sequential α-chlorination of ketones followed by base-mediated condensations with thiourea/thiosemicarbazides, o-phenylenediamine and salicylaldehyde resp. under ball-milling conditions was described. Chlorination of ketones proceeded with atom-economical trichloroisocyanuric acid reagent in the presence of p-TSA under ball-milling conditions to give α-chloroketones which was then further used without isolation. The viability of one-pot sequential acid- and base-mediated reactions in the solid state under ball-milling conditions was thus demonstrated.

Organic & Biomolecular Chemistry 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

Taylor, Scott D. published the artcileSynthesis of Methylene- and Difluoromethylenephosphonate Analogs of Uridine-4-phosphate and 3-Deazauridine-4-phosphate, COA of Formula: C6H4ClNO2, the publication is Journal of Organic Chemistry (2006), 71(25), 9420-9430, database is CAplus and MEDLINE.

Cytidine triphosphate synthetase (CTPS) catalyzes the formation of cytidine triphosphate from glutamine, uridine-5′-triphosphate (UTP), and adenosine-5′-triphosphate. Inhibitors of CTPS are of interest because of their potential as therapeutic agents. One approach to potent enzyme inhibitors is to use analogs of high energy intermediates formed during the reaction. The CTPS reaction proceeds via the high energy intermediate UTP-4-phosphate (UTP-4-P). Four novel analogs of uridine-4-phosphate, e.g. I, and 3-deazauridine-4-phosphate (3-deazaU-4-P) were synthesized in which the labile phosphate ester oxygen was replaced with a methylene and difluoromethylene group. The methylene analog of uridine-4-phosphate, was prepared by a reaction of the sodium salt of tert-Bu diethylphosphonoacetate with protected, 4-O-activated uridine followed by acetate deprotection and decarboxylation. It was found that this compound undergoes relatively facile dephosphonylation presumably via a metaphosphate intermediate. The difluoromethylene derivative, was prepared by electrophilic fluorination of protected uridine-4-phosphate. This compound was stable and did not undergo dephosphonylation. Synthesis of the methylene analog of 3-deazaU-4-P, was achieved by ribosylation of protected 4-(phosphonomethyl)-2-hydroxypyridine. Electrophilic fluorination was also employed in the preparation of protected 4-(phosphonodifluoromethyl)-2-hydroxypyridine which was used as the key building block in the synthesis of difluoro derivative These compounds represent the first examples of a nucleoside in which the base has been chem. modified with a methylene or difluoromethylenephosphonate group.

Journal of Organic Chemistry 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 C20H40O2, COA of Formula: C6H4ClNO2.

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

Rangelov, S. published the artcileDoes the five-block copolymer of ethylene oxide and propylene oxide form ordered films?, Safety of 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, the publication is Journal of Materials Science Letters (1996), 15(3), 271-4, database is CAplus.

The possibility of the formation of ordered structures in ethylene oxide-propylene oxide block copolymer when adsorbed from aqueous solutions onto a solid hydrophobic surface in the presence of low-mol.-weight organic or inorganic substrates is studied. Addition of azorubin, thiourea, 2-aminothiazole, 3,3′-dithiobispropanesulfonate, and diethylsafranine derivatives brought about the formation of ordered textures in the copolymer.

Journal of Materials Science Letters published new progress about 4569-86-2. 4569-86-2 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride, and the molecular formula is C22H23ClN4, Safety of 3-Amino-7-(diethylamino)-5-phenylphenazin-5-ium chloride.

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

De Luca, Laura published the artcileSynthesis and biochemical evaluation of 5-(pyridin-4-yl)-3-(alkylsulfanyl)-4H-1,2,4-triazol-4-amine-based inhibitors of tyrosinase from Agaricus bisporus, Name: 3-Chlorobenzylchloride, the publication is ARKIVOC (Gainesville, FL, United States) (2022), 156-166, database is CAplus.

A series of small mols. able to inhibit diphenolase activity of tyrosinase from Agaricus bisporus. The designed compounds I [n = 1,2; R = H, 4-Me, 2,4-F etc.] were readily synthesized by S-alkylation and the synthesized compounds I were tested through biochem. screening, thus provided structure-affinity relationships for this class of comp. I . In addition, docking simulations suggested the binding mode within the catalytic site of the targeted enzyme.

ARKIVOC (Gainesville, FL, United States) 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, Name: 3-Chlorobenzylchloride.

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

Galons, Herve published the artcileA convenient procedure for the synthesis of phenothiazine drugs, Related Products of chlorides-buliding-blocks, the publication is Chemical & Pharmaceutical Bulletin (1985), 33(11), 5108-9, database is CAplus.

Alkylation of phenothiazines to prepare chloropromazine and analogous compounds was achieved by solid-liquid phase-transfer catalysis in the presence of Aliquat 336 in the absence of any organic solvent. This simple procedure is easy and rapid.

Chemical & Pharmaceutical Bulletin 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 C5H13Cl2N, Related Products of chlorides-buliding-blocks.

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

Novell, Arnau published the artcileOctaproline, a conformationally flexible chiral selector in liquid chromatographic enantioseparation, Synthetic Route of 42074-68-0, the publication is Journal of Chromatography A (2014), 109-118, database is CAplus and MEDLINE.

A proline octapeptide-derived chiral selector (CS) end-capped using a pivaloyl group was covalently linked to a silica gel chromatog. matrix by the C-terminal group. The chromatog. behavior of the resulting chiral stationary phase (CSP) using different conditions was compared to those containing 3,5-dimethylphenylcarbamate residues on the proline units. An enantioseparation ability highly dependent on the mobile phase used is observed for these CSPs. When mixtures of alkane/alc. or alkane/ether were used as mobile phase a similar enantioselectivity was obtained. Nevertheless, in the presence of chlorinated solvents, and without a hydrogen bonding donor in the mobile phase, enantioselectivity is extremely reduced. The reversibility of this phenomenon, attributed to a conformational change in the CS, was examined

Journal of Chromatography A published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, Synthetic Route of 42074-68-0.

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

Matsuyama, Naoki published the artcileNickel-Catalyzed Ring-Opening C-O Functionalization of peri-Xanthenoxanthenes for 8-Substituted Binaphthol Synthesis, Computed Properties of 21286-54-4, the publication is Organic Letters (2021), 23(10), 3908-3912, database is CAplus and MEDLINE.

Herein, authors disclose the Ni-catalyzed ring-opening C-O functionalization of peri-xanthenoxanthenes using Grignard reagents that forms 8-mono-functionalized binaphthols. 1,2-Bis(dicyclohexylphosphino)ethane was the best ligand for alkylations and ICy for arylation. After mechanistic investigations, authors assumed that the reaction proceeds via C-O reduction and subsequent C-O functionalization. To verify the mechanism, the intermediate after reduction was isolated. Moreover, the asym. addition, using 8-octylbinaphthol after optical resolution, was studied.

Organic Letters 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 C10H15ClO3S, Computed Properties of 21286-54-4.

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