N',N''-hexane-1,6-diylidenebis(4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide) | 1391948-53-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N',N''-hexane-1,6-diylidenebis(4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide)
• 英文别名: N-(cyclohexylideneamino)-4-(trifluoromethyl)thiadiazole-5-carboxamide
• CAS: 1391948-53-0
• 化学式: C₁₀H₁₁F₃N₄OS
• 分子量: 292.285
• InChiKey: PVEPVKJJPMNUGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  95.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide 、 环己酮 以 乙醇 为溶剂， 以95%的产率得到N',N''-hexane-1,6-diylidenebis(4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide)
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxic activities of novel 4-trifluoromethyl-(1,2,3)-thiadiazolo-5-carboxylic acid hydrazide Schiff’s bases

  摘要：

  A series of novel 1,2,3-thiadiazolo-5-carboxylic acid hydrazide Schiff's bases 4a-4r were prepared starting from ethyl-4,4,4-trifluoroacetoacetate and ethyl carbazate in four steps. All the compounds were screened for antibacterial activity against various bacterial strains at 150 mu g/ml concentration and found no activity. Similarly, all the compounds were screened for antifungal activity against various fungal strains at 100 and 150 mu g/ml concentrations. Compounds 4a, 4m, and 4q found to show moderate activity against Candida albicans. Further, compounds were evaluated for cytotoxic activity against breast carcinoma cells MDA-MB 231 (aggressive), MCF-7 (non-aggressive) using doxorubicin as standard. Compound 4n was found to show 25.39 % cell viability against MDA-MB 231 and 63.60 % cell viability against MCF-7 cells.

  DOI：

  10.1007/s00044-012-0168-x