Month: December 2022

Palii, G. K. published the artcileCytogenetic effect of etonium, decamethoxin, and a hexamethylenediamine derivative, Formula: C38H74Cl2N2O4, the publication is Genetika (Moscow) (1974), 10(1), 171-2, database is CAplus.

When added to a human embryonic fibroblast culture, etonium [21954-74-5], decamethoxin (I) [38146-42-8], or a hexamethylenediamine derivative decreased the mitotic activity and induced chromosome aberrations in the cells. Etonium had the strongest mutagenic effect.

Genetika (Moscow) 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, Formula: C38H74Cl2N2O4.

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

Narjes, Frank published the artcilePotent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design, COA of Formula: C7H5BClNO2, the publication is Journal of Medicinal Chemistry (2018), 61(17), 7796-7813, database is CAplus and MEDLINE.

Retinoic acid receptor related orphan receptor γt (RORγt), has been identified as the master regulator of T_H17-cell function and development, making it an attractive target for the treatment of autoimmune diseases by a small-mol. approach. Herein, we describe our investigations on a series of 4-aryl-thienyl acetamides, which were guided by insights from X-ray cocrystal structures. Efforts in targeting the cofactor-recruitment site from the 4-aryl group on the thiophene led to a series of potent binders with nanomolar activity in a primary human-T_H17-cell assay. The observation of a DMSO mol. binding in a subpocket outside the LBD inspired the introduction of an acetamide into the benzylic position of these compounds Hereby, a hydrogen-bond interaction of the introduced acetamide oxygen with the backbone amide of Glu379 was established. This greatly enhanced the cellular activity of previously weakly cell-active compounds The best compounds combined potent inhibition of IL-17 release with favorable PK in rodents, with compound 32 representing a promising starting point for future investigations.

Journal of Medicinal Chemistry published new progress about 915763-60-9. 915763-60-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, COA of Formula: C7H5BClNO2.

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

Kong, Deyu published the artcileOptimization of P2Y₁₂ Antagonist Ethyl 6-(4-((Benzylsulfonyl)carbamoyl)piperidin-1-yl)-5-cyano-2-methylnicotinate (AZD1283) Led to the Discovery of an Oral Antiplatelet Agent with Improved Druglike Properties, Synthetic Route of 939-99-1, the publication is Journal of Medicinal Chemistry (2019), 62(6), 3088-3106, database is CAplus and MEDLINE.

P2Y₁₂ antagonists are widely used as antiplatelet agents for the prevention and treatment of arterial thrombosis. Based on the scaffold of a known P2Y₁₂ antagonist AZD1283 (I), a series of novel bicyclic pyridine derivatives were designed and synthesized. The cyclization of the ester substituent on the pyridine ring to the ortho-Me group led to lactone analogs of AZD1283 that showed significantly enhanced metabolic stability in subsequent structure-pharmacokinetic relationship studies. The metabolic stability was further enhanced by adding a 4-Me substituent to the piperidinyl moiety. Compound II displayed potent inhibition of platelet aggregation in vitro as well as antithrombotic efficacy in a rat ferric chloride model. Moreover, II showed a safety profile that was superior to what was observed for clopidogrel in a rat tail-bleeding model. These results support the further evaluation of compound II as a promising drug candidate.

Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Synthetic Route of 939-99-1.

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

Li, Yannian published the artcilePhotodynamic Chiral Molecular Switches with Thermal Stability: From Reflection Wavelength Tuning to Handedness Inversion of Self-Organized Helical Superstructures, Related Products of chlorides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2013), 52(51), 13703-13707, database is CAplus and MEDLINE.

We previously developed a dithienylcyclopentene dopant that bears two methylenedioxy-bridged binaphthyl moieties. Herein, we report our new findings on related compounds that entail different bridge lengths in their binaphthyl units. Three new compounds were synthesized. It was found that variations of the bridge length resulted in significantly different photoresponsive properties in LC media.

Angewandte Chemie, International Edition 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

Qiang, Wen published the artcileImpact of the gut microbiota on heat stroke rat mediated by Xuebijing metabolism, SDS of cas: 637-07-0, the publication is Microbial Pathogenesis (2021), 104861, database is CAplus and MEDLINE.

The goal of the present study was to evaluate the fecal microbiome and serum metabolites in Xuebijing (XBJ)-injected rats after heat stroke using 16S rRNA gene sequencing and gas chromatog.-mass spectrometry (GC-MS) metabolomics. Eighteen rats were divided into the control group (CON), heat stroke group (HS), and XBJ group. The 16S rRNA gene sequencing results revealed that the abundance of Bacteroidetes was overrepresented in the XBJ group compared to the HS group, while Actinobacteria was underrepresented. Metabolomic profiling showed that the pyrimidine metabolism pathway, pentose phosphate pathway, and glycerophospholipid metabolism pathway were upregulated in the XBJ group compared to the HS group. Taken together, these results demonstrated that heat stroke not only altered the gut microbiome community structure of rats but also greatly affected metabolic functions, leading to gut microbiome toxicity.

Microbial Pathogenesis published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, SDS of cas: 637-07-0.

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

McConnell, Nicholas published the artcileSynthesis of Constrained Heterocycles Employing Two Post-Ugi Cyclization Methods for Rapid Library Generation with In Cellulo Activity, Quality Control of 6313-54-8, the publication is ChemistrySelect (2017), 2(35), 11821-11825, database is CAplus and MEDLINE.

An efficient method was developed for the synthesis of benzimidazole dual-heterocycles, e.g., I and quinoxalinone dual-heterocycles, e.g., II utilizing robust post-Ugi cyclization starting from carboxylic acids, isocyanides, benzaldehydes and N-Boc-1,2-phenylenediamine including Ugi-deprotection-cyclization methodol. Through mol. modeling it was shown that the developed compounds I and II were capable of binding to MDMX by exploiting a deep non-polar groove and a deep hydrophobic pocket on the protein. Addnl., the synthesized compounds I and II showed micromolar activity against pancreatic cancer cell line, supporting the therapeutic utility of these compounds

ChemistrySelect 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, Quality Control of 6313-54-8.

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

Wang, Dawei published the artcilePalladium-catalysed and phosphine-promoted synthesis of diaryl ethers through self-coupling, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Chemical Research (2016), 40(11), 691-693, database is CAplus.

An efficient, palladium acetate-catalyzed, tributylphosphine-promoted direct synthesis of sym. diaryl ethers through the self coupling of aryl fluorides was developed with K₂CO₃/ZrO₂ as a base. This provided an alternative method to prepare aromatic polymers, important synthetic intermediates and natural products for use in the field of pharmaceuticals and industrial materials.

Journal of Chemical 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 C8H8O2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Barrios-Rivera, Jonathan published the artcileAsymmetric Transfer Hydrogenation of Unhindered and Non-Electron-Rich 1-Aryl Dihydroisoquinolines with High Enantioselectivity, Quality Control of 620-20-2, the publication is Organic Letters (2020), 22(16), 6283-6287, database is CAplus and MEDLINE.

The use of arene/Ru/TsDPEN catalysts bearing a heterocyclic group on the TsDPEN in the asym. transfer hydrogenation (ATH) of dihydroisoquinolines (DHIQs) containing meta- or para-substituted aromatic groups at the 1-position results in the formation of products of high enantiomeric excess. Previously, only 1-(ortho-substituted)aryl DHIQs, or with an electron-rich fused ring gave products with high enantioselectivity; therefore, this approach solves a long-standing challenge for imine ATH.

Organic Letters 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, Quality Control of 620-20-2.

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

Guo, Zhenbo published the artcileDesign, synthesis and evaluation of novel (S)-tryptamine derivatives containing an allyl group and an aryl sulfonamide unit as anticancer agents, Safety of 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, the publication is Bioorganic & Medicinal Chemistry Letters (2019), 29(9), 1133-1137, database is CAplus and MEDLINE.

A series of (S)-tryptamine derivatives containing an allyl group and an aryl sulfonamide unit, I (R = Ph, 3-Cl-4-FC₆H₃, 4-Br-2-ClC₆H₄, etc.) and II [R = Ph, 2,4,6-(Me₂CH)₃C₆H₂], were designed, synthesized and evaluated for their potential application as anticancer agents. The structures of the synthesized compounds were characterized by ¹H NMR, ¹³C NMR and ESI-MS spectral analyses. The target compounds were evaluated for their in vitro cytotoxicity against HepG2, HeLa, CNE1 and A549 human cancer cell lines. Some of the synthesized compounds showed moderate to good anticancer activities against four selected cancer cell lines, among of which I [R = 2,4,6-(Me₂CH)C₆H₂] (III) was found to be the most active analog possessing IC₅₀ values 16.5-18.7 μM. Further mechanism studies revealed that compound III could significantly induce HepG2 cell cycle arrest at G1 phase, promote cell apoptosis, and inhibit the colony formation as well.

Bioorganic & Medicinal Chemistry Letters published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, Safety of 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride.

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

Yang, Fang published the artcileHeterogeneously catalyzed one-pot synthesis of N-alkyl anilines from nitroaromatics by assembled Pt₃Sn/Al₂O₃ catalyst, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Wuli Huaxue Xuebao (2012), 28(9), 2141-2147, database is CAplus.

N-alkyl anilines were obtained from nitroaroms. by a one-pot method using assembled Pt₃Sn/Al₂O₃ catalyst for heterogeneous in situ hydrogenation in a continuous-flow fixed-bed reactor. At the optimum reaction conditions (503 K, liquid hourly space velocity (LHSV) of 7.5 h^-1, 5% (volume fraction) water, 1% (mass fraction) Pt₃Sn/Al₂O₃ catalyst), nitrobenzene conversion was 100%, with a total N-Et and N,N-di-Et aniline yield of 98.2%. Moreover, the Pt₃Sn/Al₂O₃ catalyst had a great conjoint effect for all in situ hydrogenation reactions for N-alkylation. High yields of N-alkylation products were obtained in aliphatic alc./water systems for 14 selected nitroaroms.

Wuli Huaxue Xuebao 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 C15H14N2, Safety of 3-Chloro-4-fluoronitrobenzene.

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