5,6,7-triphenylbenzo[h][1, 2, 4]triazolo[3,4-a][2, 6]naphthyridin-3(2H)-thione | 1415835-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,6,7-triphenylbenzo[h][1, 2, 4]triazolo[3,4-a][2, 6]naphthyridin-3(2H)-thione
• 英文别名: 9,11,12-Triphenyl-8,13,15,16-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,16-heptaene-14-thione；9,11,12-triphenyl-8,13,15,16-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,16-heptaene-14-thione
• CAS: 1415835-11-8
• 化学式: C₃₁H₂₀N₄S
• 分子量: 480.593
• InChiKey: MNEHSAZMHVOZNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-苯基-4-喹啉羧酸 在 PPA 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 5,6,7-triphenylbenzo[h][1, 2, 4]triazolo[3,4-a][2, 6]naphthyridin-3(2H)-thione
  参考文献：
  名称：

  Synthesis, characterization, and biological evaluation of novel thiazole and pyrazole derivatives of quinoline-4-carboxylic acid as potential antimicrobial agents

  摘要：

  A series of quinoline-based heterocycles prepared and bioevaluated for their possible antimicrobial activity against a panel of gram-positive bacteria [Staphylococcus aureus (ATCC-9144) and Bacillus subtilis (ATCC-6633)] and gram-negative bacteria [Pseudomonas aeruginosa (ATCC-25615), and Escherichia coli (MTCC-739)], and fungal strains [Candida albicans (ATCC-24433), Aspergillus niger (MTCC-872), and Aspergillus fumigatus (MTCC-343)] by the known methods. All the prepared quinoline derivatives have shown significant antimicrobial activities. Few compounds, viz. 4b, 4c and 4a, 4c proved to be active at low concentrations against Sa and Ca, respectively, while compounds 4a, 6d, and 6b showed milder inhibitory effects against other microbes. The structures of newly synthesized compounds were characterized by elemental analysis, Infrared (IR), (HNMR)-H-1, C-13-NMR and Mass-spectroscopy.

  DOI：

  10.1007/s00044-012-0333-2

文献信息

• Synthesis, characterization, and biological evaluation of novel thiazole and pyrazole derivatives of quinoline-4-carboxylic acid as potential antimicrobial agents
  作者：Abha Bishnoi、Anil Kumar Tiwari、Suruchi Singh、Arun Sethi、Chandrakant Mani Tripathi、Bikram Banerjee

  DOI：10.1007/s00044-012-0333-2

  日期：2013.7

  A series of quinoline-based heterocycles prepared and bioevaluated for their possible antimicrobial activity against a panel of gram-positive bacteria [Staphylococcus aureus (ATCC-9144) and Bacillus subtilis (ATCC-6633)] and gram-negative bacteria [Pseudomonas aeruginosa (ATCC-25615), and Escherichia coli (MTCC-739)], and fungal strains [Candida albicans (ATCC-24433), Aspergillus niger (MTCC-872), and Aspergillus fumigatus (MTCC-343)] by the known methods. All the prepared quinoline derivatives have shown significant antimicrobial activities. Few compounds, viz. 4b, 4c and 4a, 4c proved to be active at low concentrations against Sa and Ca, respectively, while compounds 4a, 6d, and 6b showed milder inhibitory effects against other microbes. The structures of newly synthesized compounds were characterized by elemental analysis, Infrared (IR), (HNMR)-H-1, C-13-NMR and Mass-spectroscopy.