Category: 769132-77-6

Encinas, Lourdes published the artcileEncoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium tuberculosis InhA, Formula: C9H14N2O2, the main research area is pyrrolidinylpyrazolecarboxamide benzofuranylcarbonyl derivative preparation tuberculostatic structure activity.

Tuberculosis (TB) is one of the world’s oldest and deadliest diseases, killing a person every 20 s. InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis, is the target of the frontline antitubercular drug isoniazid (INH). Compounds that directly target InhA and do not require activation by mycobacterial catalase peroxidase KatG are promising candidates for treating infections caused by INH resistant strains. The application of the encoded library technol. (ELT) to the discovery of direct InhA inhibitors yielded compound I endowed with good enzymic potency but with low antitubercular potency. This work reports the hit identification, the selected strategy for potency optimization, the structure-activity relationships of a hundred analogs synthesized, and the results of the in vivo efficacy studies performed with the lead compound II.

Journal of Medicinal Chemistry published new progress about Crystal structure. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Formula: C9H14N2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Xu, Peng published the artcileNovel pleuromutilin derivatives with excellent antibacterial activity against Staphylococcus aureus, Safety of 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, the main research area is pleuromutilin derivative antibacterial activity Staphylococcus.

Ten novel pleuromutilin derivatives with thioether moiety and heterocyclic carboxamide or chloroformate group in the side chain were synthesized and confirmed by 1H NMR, IR and HRMS. The results of the antibacterial activity showed that the title compounds had excellent antibacterial activity against Staphylococcus aureus, among which the MIC of 5f reached 0.03125 μg/mL.

Chemical Biology & Drug Design published new progress about Antibacterial agents. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Safety of 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Si, Wei-Jie published the artcileDesign, synthesis, antifungal activity and 3D-QSAR study of novel pyrazole carboxamide and niacinamide derivatives containing benzimidazole moiety, Synthetic Route of 769132-77-6, the main research area is pyrazole carboxamide niacinamide benzimidazole preparation antifungal; quant structure activity relationship.

A series of novel pyrazole carboxamide I (R1 = H, Cl, Me; R2 = Me, CF3), II (R1 = H, Cl, Me; R2 = Me, i-Bu) and niacinamide derivatives III (R1 = H, Cl, Me; R2 = H, Cl, SH) containing a benzimidazole moiety were designed and synthesized as antifungal candidate agents. The structure of compound I (R1 = H; R2 = Me) was confirmed by single crystal X-ray diffraction anal. The antifungal activities of the target compounds were evaluated in vitro against four phytopathogenic fungi (namely Botrytis cinerea, Rhizoctonia solani, Fusarium graminearum and Alternaria solani) by the mycelium growth inhibition method. The bioassay results indicated that some of the compounds exhibited good antifungal activity against B. cinerea at 100 μg ML-1 compared to other three fungi. In order to better explore the structure-activity relationship (SAR), the EC50 values of target compounds against B. cinerea were measured and assessed. Subsequently, a 3D quant. structure-activity relationship (3D-QSAR) study was carried out using the comparative mol. field anal. (CoMFA) technique based on the inhibitory activities of tested compounds against B. cinerea. Mol. modeling results revealed fine predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.578 and 0.850, resp.

New Journal of Chemistry published new progress about Fungal plant disease. 769132-77-6 belongs to class pyrazoles-derivatives, name is 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid, and the molecular formula is C9H14N2O2, Synthetic Route of 769132-77-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics