Category: 162046-61-9

Thompson, Andrew M.; O’Connor, Patrick D.; Marshall, Andrew J.; Blaser, Adrian; Yardley, Vanessa; Maes, Louis; Gupta, Suman; Launay, Delphine; Braillard, Stephanie; Chatelain, Eric; Wan, Baojie; Franzblau, Scott G.; Ma, Zhenkun; Cooper, Christopher B.; Denny, William A. published the artcile< Development of (6R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis>, Category: chlorides-buliding-blocks, the main research area is DNDI8219 preparation lead visceral leishmaniasis; aryl nitroimidazooxazine.

Discovery of the potent antileishmanial effects of antitubercular 6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoles and 7-substituted 2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines stimulated the examination of further scaffolds (e.g., 2-nitro-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]oxazepines), but the results for these seemed less attractive. Following the screening of a 900-compound pretomanid analog library, several hits with more suitable potency, solubility, and microsomal stability were identified, and the superior efficacy of newly synthesized 6R enantiomers with phenylpyridine-based side chains was established through head-to-head assessments in a Leishmania donovani mouse model. Two such leads (R-84 and R-89) displayed promising activity in the more stringent Leishmania infantum hamster model but were unexpectedly found to be potent inhibitors of hERG. An extensive structure-activity relationship investigation pinpointed two compounds (R-6 and pyridine R-136) with better solubility and pharmacokinetic properties that also provided excellent oral efficacy in the same hamster model (>97% parasite clearance at 25 mg/kg, twice daily) and exhibited minimal hERG inhibition. Addnl. profiling earmarked R-6 as the favored backup development candidate.

Journal of Medicinal Chemistry published new progress about Drug metabolism (metabolic stability). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Category: chlorides-buliding-blocks.

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

Al-Masum, Mohammad; Hira, Arpona; Chrisman, Sara; Nguyen, Ngan T. published the artcile< Introducing efficient palladium catalyzed cross coupling reaction of tertiary alcohols and aroyl chlorides for the synthesis of highly substituted esters>, Recommanded Product: 2-(Trifluoromethoxy)benzoyl chloride, the main research area is alc benzoyl chloride palladium catalyst cross coupling reaction; aryl ester preparation.

Palladium inserted ArCOPdCl species reacts with tertiary alcs. and cross-coupling under microwave heating, minimized the formation of probable carbenium ion and promoted successful production of highly substituted esters in good to high yields.

Tetrahedron Letters published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Recommanded Product: 2-(Trifluoromethoxy)benzoyl chloride.

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

Buchieri, Maria V.; Cimino, Mena; Rebollo-Ramirez, Sonia; Beauvineau, Claire; Cascioferro, Alessandro; Favre-Rochex, Sandrine; Helynck, Olivier; Naud-Martin, Delphine; Larrouy-Maumus, Gerald; Munier-Lehmann, Helene; Gicquel, Brigitte published the artcile< Nitazoxanide Analogs Require Nitroreduction for Antimicrobial Activity in Mycobacterium smegmatis>, Safety of 2-(Trifluoromethoxy)benzoyl chloride, the main research area is nitazoxanide analog nitroredn antimicrobial Mycobacterium.

In this study, we aimed to decipher the natural resistance mechanisms of mycobacteria against novel compounds isolated by whole-cell-based high-throughput screening (HTS). We identified active compounds using Mycobacterium Aurum. Further analyses were performed to determine the resistance mechanism of M. smegmatis against one hit, 3-bromo-N-(5-nitrothiazol-2-yl)-4-propoxybenzamide (3), which turned out to be an analog of the drug nitazoxanide (1). We found that the repression of the gene nfnB coding for the nitroreductase NfnB was responsible for the natural resistance of M. smegmatis against 3. The overexpression of nfnB resulted in sensitivity of M. smegmatis to 3. This compound must be metabolized into hydroxylamine intermediate for exhibiting antibacterial activity. Thus, we describe, for the first time, the activity of a mycobacterial nitroreductase against 1 analogs, highlighting the differences in the metabolism of nitro compounds among mycobacterial species and emphasizing the potential of nitro drugs as antibacterials in various bacterial species.

Journal of Medicinal Chemistry published new progress about Antibiotic resistance. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Safety of 2-(Trifluoromethoxy)benzoyl chloride.

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

Bischof, Joachim; Leban, Johann; Zaja, Mirko; Grothey, Arnhild; Radunsky, Barbara; Othersen, Olaf; Strobl, Stefan; Vitt, Daniel; Knippschild, Uwe published the artcile< 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1δ/ε>, Electric Literature of 162046-61-9, the main research area is benzamidobenzoimidazolylthiazolecarboxamide derivative preparation inhibition casein kinase 1 isoenzyme antitumor; crystal structure casein kinase isoenzyme inhibitor complex.

In this study two heterocyclic compounds (5 and 6) were identified as potent and specific inhibitors of CK1δ (IC50 = 0.040 and 0.042 μM, resp.). Whereas compound 5 exhibited 5-fold higher affinity toward CK1δ than to CK1ε (IC50 CK1ε = 0.199 μM), compound 6 also inhibited CK1ε (IC50 = 0.0326 μM) in the same range as CK1δ. Selected compound 5 was screened over 442 kinases identifying 5 as a highly potent and selective inhibitor of CK1δ. X-ray anal. of 5 bound to CK1δ demonstrated its binding mode. In addition, characterization of 5 and 6 in a cell biol. approach revealed the ability of both compounds to inhibit proliferation of tumor cell lines in a dose and cell line specific manner. In summary, these optimizations lead to the development of new highly selective CK1δ and ε specific inhibitors with biol. activity.

Amino Acids published new progress about Antitumor agents. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Electric Literature of 162046-61-9.

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

McClure, Kelly J.; Maher, Michael; Wu, Nancy; Chaplan, Sandra R.; Eckert, William A. III; Lee, Dong H.; Wickenden, Alan D.; Hermann, Michelle; Allison, Brett; Hawryluk, Natalie; Breitenbucher, J. Guy; Grice, Cheryl A. published the artcile< Discovery of a novel series of selective HCN1 blockers>, COA of Formula: C8H4ClF3O2, the main research area is HCN1 blocker preparation SAR; heterocyclylindanemethyl heterocyclylethyl benzamide preparation; structure heterocyclylindanemethyl heterocyclylethyl benzamide inhibition HCN1 cation channel.

The discovery of a series of novel, potent, and selective blockers of the hyperpolarization-activated cation-nonselective cyclic nucleotide-modulated ion channel HCN1 is disclosed. Here we report an SAR study around a series of selective blockers of the HCN1 channel. Utilization of a high-throughput VIPR assay led to the identification of a novel series of 2,2-disubstituted indane derivatives, which had moderate selectivity and potency at HCN1. Optimization of this hit led to the identification of the potent, 1,1-disubstituted cyclohexane HCN1 blocker, 2-ethoxy-N-((1-(4-isopropylpiperazin-1-yl)cyclohexyl)methyl)benzamide. The work leading to the discovery of this compound is described herein.

Bioorganic & Medicinal Chemistry Letters published new progress about Analgesics. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, COA of Formula: C8H4ClF3O2.

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

Aktar, Bedriye Seda Kursun; Sicak, Yusuf; Tatar, Gizem; Oruc-Emre, Emine Elcin published the artcile< Synthesis of benzoyl hydrazones having 4-hydroxy-3,5-dimethoxy phenyl ring, their biological activities, and molecular modeling studies on enzyme inhibition activities>, Quality Control of 162046-61-9, the main research area is benzoyl hydrazone preparation antioxidant activity enzyme inhibition SAR; mol modeling.

Hydrazone compounds have high capacity in terms of antioxidant activity and enzyme inhibition activities such as anticholinesterase, tyrosinase, and urease. In this study, benzoyl hydrazones compounds RC(O)NHN=CHR1 (R = 4-ClC6H4, 2-F3CC6H4, 3,5-(CF3)2C6H3, etc.; R1 = 4-hydroxy-3,5-dimethoxyphenyl) were synthesized starting from 3,5-dimethoxy-4-hydroxybenzaldehyde. Antioxidant activity of the synthesized compounds was evaluated. In the β-carotene-linoleic acid and ABTS cation radical scavenging activities, compounds RC(O)NHN=CHR1 (R = 3,5-(CF3)2C6H3, R1 = 4-hydroxy-3,5-dimethoxyphenyl; R = 4-CH3OC6H4, R1 = 4-hydroxy-3,5-dimethoxyphenyl; R = 4-CF3OC6H4, R1 = 4-hydroxy-3,5-dimethoxyphenyl) stood out as the most active compounds, resp. In the anticholinesterase enzyme inhibition activity results, compound RC(O)NHN=CHR1 (R = 4-O2NC6H4, R1 = 4-hydroxy-3,5-dimethoxyphenyl) exhibited the best activity against AChE and BChE enzymes in the synthesis series. In addition, mol. docking anal. was performed to understand the inhibition mechanism of the synthesized compounds with target enzymes at the at. level. In the light of biol. activity and in silico studies, it has the potential to guide studies for the development of new drugs for Alzheimer disease in the future.

Turkish Journal of Chemistry published new progress about Antioxidants. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Quality Control of 162046-61-9.

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

Lindsley, Craig W.; Zhao, Zhijian; Leister, William H.; O’Brien, Julie; Lemaire, Wei; Williams, David L. Jr.; Chen, Tsing-Bau; Chang, Raymond S. L.; Burno, Maryann; Jacobson, Marlene A.; Sur, Cyrille; Kinney, Gene G.; Pettibone, Douglas J.; Tiller, Philip R.; Smith, Sheri; Tsou, Nancy N.; Duggan, Mark E.; Conn, P. Jeffrey; Hartman, George D. published the artcile< Design, synthesis, and in vivo efficacy of glycine transporter-1 (GlyT1) inhibitors derived from a series of [4-phenyl-1-(propylsulfonyl)piperidin-4-yl]methyl benzamides>, Quality Control of 162046-61-9, the main research area is antipsychotic piperidinylmethylbenzamide preparation SAR glycine transporter.

An iterative analog library synthesis approach was employed to develop SAR for the title compounds Analog I was thus identified as a novel, centrally active GlyT1 inhibitor. I enhanced prepulse inhibition in a rodent behavioral model sensitive to antipsychotic treatment.

ChemMedChem published new progress about Antipsychotics. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Quality Control of 162046-61-9.

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

Lee, Yong Ho; Denton, Elliott H.; Morandi, Bill published the artcile< Palladium-catalysed carboformylation of alkynes using acid chlorides as a dual carbon monoxide and carbon source>, Recommanded Product: 2-(Trifluoromethoxy)benzoyl chloride, the main research area is palladium catalyzed stereoselective carboformylation alkyne acid chloride.

Hydroformylation, a reaction that installs both a C-H bond and an aldehyde group across an unsaturated substrate, is one of the most important catalytic reactions in both industry and academia. Given the synthetic importance of creating new C-C bonds, the development of carboformylation reactions, wherein a new C-C bond is formed instead of a C-H bond, would bear enormous synthetic potential to rapidly increase mol. complexity in the synthesis of valuable aldehydes. However, the demanding complexity inherent in a four-component reaction, utilizing an exogenous CO source, has made the development of a direct carboformylation reaction a formidable challenge. Here, we describe a palladium-catalyzed strategy that uses readily available aroyl chlorides as a carbon electrophile and CO source, in tandem with a sterically congested hydrosilane, to perform a stereoselective carboformylation of alkynes [e.g., 2-methylbenzoyl chloride + i-Pr3SiH + n-PrCCPr-n → (Z)-I (up to 83%)]. An extension of this protocol to four chemodivergent carbonylations further highlights the creative opportunity offered by this strategy in carbonylation chem.

Nature Chemistry published new progress about Acid chlorides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Recommanded Product: 2-(Trifluoromethoxy)benzoyl chloride.

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

Obydennov, Konstantin L.; Kalinina, Tatiana A.; Galieva, Nadezhda A.; Beryozkina, Tetyana V.; Zhang, Yue; Fan, Zhijin; Glukhareva, Tatiana V.; Bakulev, Vasiliy A. published the artcile< Synthesis, Fungicidal Activity and Molecular Docking of 2-Acylamino and 2-Thioacylamino Derivatives of 1H-benzo[d]imidazoles as Anti-Tubulin Agents>, Quality Control of 162046-61-9, the main research area is benzimidazole preparation fungicidal mol docking; 5CA1; antifungal activity; benzimidazoles; carbendazim; molecular docking; nocodazole; tautomerism; tubulin.

This work dealt with the synthesis and evaluation of fungicidal activity of benzimidazole derivatives, which were structural analogs of com. anti-tubulin fungicides. A series of N-acyl and N-thioacyl derivatives of 2-amino-1H-benzo[d]imidazole I [R1 = H, Me, CF3, CO2Et; R2 = H; R3 = H, Me; R4 = Me, Ph, 2-thienyl, etc.; R1R2 = OCF2O; X = O, S] was prepared and their fungicidal activity against 13 strains of phytopathogenic fungi was studied. The most active compounds against the majority of the studied strains were compounds I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O; R1 = H, R2 = H, R3 = H, R4 = CF3, X = S; R1R2 = OCF2O, R3 = H, R4 = CF3, X = S] and the EC50 values of these compounds were in the range 2.5-20μg/mL. Compound I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O] showed the highest activity against the P. infestans strain, the growth of which was not suppressed by carbendazim. The formation of ligand-receptor complexes of various tautomeric forms of the studied benzimidazoles with homologous models of β-tubulins of B. cinerea, F. oxysporum, and P. infestans was modeled. Induced fit docking had been used for the simulation. The obtained data suggested the possibility of binding of benzimidazole fungicides to β-tubulin in the “”nocodazole cavity”” in the tautomeric form bearing a double exocyclic C=N bond. The importance of the formation of hydrogen bonds of benzimidazoles with the amino acid residue Val236 along with the Glu198 residue was also revealed in the present study.

Journal of Agricultural and Food Chemistry published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Quality Control of 162046-61-9.

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