4-[6-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[6-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
• 英文别名: 4-[6-Methyl-3-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide；4-[6-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide
• 化学式: C₂₁H₁₇F₃N₄O₂S
• 分子量: 446.453
• InChiKey: PUVJGRMMUNKCMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  99.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对甲苯酰乙腈 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 4-[6-methyl-3-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide 、 N-[1-[4-(aminosulfonyl)phenyl]-3-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
  参考文献：
  名称：

  Exploration of antimicrobial potential of pyrazolo[3,4-b]pyridine scaffold bearing benzenesulfonamide and trifluoromethyl moieties

  摘要：

  The synthesis and biological evaluation of a library of thirty differently substituted pyrazolo[3,4-b]pyridines bearing benzenesulfonamide moiety at position-1 and trifluoromethyl group at position-4 are reported. Fused heterocyclic system present in the target compounds (5a-j, 6a-j, and 7a-j) was constructed by refluxing various 5-aminopyrazoles (3a-c) with differently substituted trifluoromethyl-beta-diketones (4a-j) in glacial acetic acid. All the target compounds (5-7) were evaluated for their in vitro antibacterial activity against four pathogenic bacterial strains namely, Staphylococcus aureus, Bacillus subtilis (Gram-positive), Escherichia coli, Pseudomonas aeruginosa (Gram-negative) and in vitro antifungal activity against two pathogenic fungal yeasts namely, Saccharomyces cerevisiae and Candida albicans.Thirty differently substituted pyrazolo[3,4-b]pyridines bearing benzenesulfonamide moiety at position-1 and trifluoromethyl group at position-4 were synthesized and screened for antibacterial and antifungal activities.

  DOI：

  10.1007/s00044-013-0544-1