2-(6-acetamidobenzothiazol-2-ylthio)-N-benzylacetamide | 339011-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(6-acetamidobenzothiazol-2-ylthio)-N-benzylacetamide
• 英文别名: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-benzylacetamide
• CAS: 339011-34-6
• 化学式: C₁₈H₁₇N₃O₂S₂
• 分子量: 371.484
• InChiKey: PUHDYOOKAZVXCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-苄基-2-氯乙酰胺 在 碳酸氢钠 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 8.0h， 生成 2-(6-acetamidobenzothiazol-2-ylthio)-N-benzylacetamide
  参考文献：
  名称：

  Synthesis, structure–activity relationships and preliminary antitumor evaluation of benzothiazole-2-thiol derivatives as novel apoptosis inducers

  摘要：

  A series of novel benzothiazole-2-thiol derivatives were synthesized, and their anti-proliferative activities on HepG2 and MCF-7 cells were investigated. Most compounds had inhibitory effects on cell growth, and some of them were more effective than cisplatin. Compounds 6m and 6t displayed good inhibitory activities against a panel of different types of human cancer cell lines, with IC50 values in the low micromolar range. Further biological evaluation indicated that 6m induced apoptosis in HepG2 cancer cells. Structure-activity relationships were also proposed. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.124