[(Z)-[1-(3-chlorophenyl)-3-phenylpropylidene]amino]thiourea | 1176789-20-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: [(Z)-[1-(3-chlorophenyl)-3-phenylpropylidene]amino]thiourea
• CAS: 1176789-20-0
• 化学式: C₁₆H₁₆ClN₃S
• 分子量: 317.842
• InChiKey: ZPJOOIQETRZYQI-CYVLTUHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氨基硫脲 、 1-(3-氯苯基)-3-苯基-1-丙酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 [(Z)-[1-(3-chlorophenyl)-3-phenylpropylidene]amino]thiourea
  参考文献：
  名称：

  Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB

  摘要：

  Human African trypanosomiasis ( HAT) is caused by the protozoan parasite Trypanosoma brucei. The cysteine proteases of T. brucei have been shown to be crucial for parasite replication and represent an attractive point for therapeutic intervention. Herein we describe the synthesis of a series of thiosemicarbazones and their activity against the trypanosomal cathepsins TbcatB and rhodesain, as well as human cathepsins L and B. The activity of these compounds was determined against cultured T. brucei, and specificity was assessed with a panel of four mammalian cell lines. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.083

文献信息

• Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB
  作者：Jeremy P. Mallari、Anang Shelat、Aaron Kosinski、Conor R. Caffrey、Michele Connelly、Fangyi Zhu、James H. McKerrow、R. Kiplin Guy

  DOI：10.1016/j.bmcl.2008.03.083

  日期：2008.5

  Human African trypanosomiasis ( HAT) is caused by the protozoan parasite Trypanosoma brucei. The cysteine proteases of T. brucei have been shown to be crucial for parasite replication and represent an attractive point for therapeutic intervention. Herein we describe the synthesis of a series of thiosemicarbazones and their activity against the trypanosomal cathepsins TbcatB and rhodesain, as well as human cathepsins L and B. The activity of these compounds was determined against cultured T. brucei, and specificity was assessed with a panel of four mammalian cell lines. (c) 2008 Elsevier Ltd. All rights reserved.