4-(4'-methylbenzylidene)-amino-5-phenyl-3-mercapto-1,2,4-triazole | 331002-18-7

• 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-(4'-methylbenzylidene)-amino-5-phenyl-3-mercapto-1,2,4-triazole
• 英文别名: 4-[(4-methylbenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol；4-[(4-methylphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
• CAS: 331002-18-7
• 化学式: C₁₆H₁₄N₄S
• 分子量: 294.38
• InChiKey: GVNZBVMCFWWQMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  72.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 、 4-氨基-5-苯基-4H-1,2,4-三唑-3-硫醇 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以63%的产率得到4-(4'-methylbenzylidene)-amino-5-phenyl-3-mercapto-1,2,4-triazole
  参考文献：
  名称：

  Thiosemicarbazone fragment embedded within 1,2,4-triazole ring as inhibitors of Entamoeba histolytica

  摘要：

  A series of 1,2,4-triazole derivatives containing thiosemicarbazone linkage was synthesized and evaluated for their in vitro antiamoebic activity against HM1:IMSS strain of Entamoeba histolytica. All the compounds were capable of inhibiting the growth of E. histolytica out of which four compounds (IC50 = 0.28-1.38 mu M) were found to have better efficacy than the standard drug Metronidazole (IC50 = 1.8 mu M). Cytotoxicity of the active compounds was assessed by MTT assay using human breast cancer MCF-7 cell line, which revealed that all the compounds were low cytotoxic in the concentration range of 2.5-250 mu M. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.084

文献信息

• Begum, Aliya; Aparna; Sircesha, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2009, vol. 48, # 11, p. 1565 - 1570
  作者：Begum, Aliya、Aparna、Sircesha、Devi, Ch. Sarala、Raghavaiah, Pallepogu

  DOI：——

  日期：——