N-(6-chlorobenzothiazol-2-yl)-1H-indole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(6-chlorobenzothiazol-2-yl)-1H-indole-3-carboxamide
• 英文别名: N-(6-chloro-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
• 化学式: C₁₆H₁₀ClN₃OS
• 分子量: 327.794
• InChiKey: MGMBDCGXAUDFAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯基硫脲 在 溴 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 N-(6-chlorobenzothiazol-2-yl)-1H-indole-3-carboxamide
  参考文献：
  名称：

  Efficient Synthesis and Biological Activity of Novel Indole Derivatives as VEGFR-2 Tyrosine Kinase Inhibitors

  摘要：

  A series of novel indole derivatives were synthesized as potent inhibitors for the vascular endothelial growth factor receptor 2 (VEGFR-2) tyrosine kinase. Among those, compound 10b demonstrated the highest growth inhibition rate of 66.7% against the VEGFR-2 tyrosine kinase at 10 mu M which indicates that indole-benzothiazole might be the favorable structure. The binding mode of compound 10b with VEGFR-2 tyrosine kinase was evaluated by molecular docking.

  DOI：

  10.1134/s1070363217120465

文献信息

• Efficient Synthesis and Biological Activity of Novel Indole Derivatives as VEGFR-2 Tyrosine Kinase Inhibitors
  作者：C. Zhang、D. Xu、J. Wang、C. Kang

  DOI：10.1134/s1070363217120465

  日期：2017.12

  A series of novel indole derivatives were synthesized as potent inhibitors for the vascular endothelial growth factor receptor 2 (VEGFR-2) tyrosine kinase. Among those, compound 10b demonstrated the highest growth inhibition rate of 66.7% against the VEGFR-2 tyrosine kinase at 10 mu M which indicates that indole-benzothiazole might be the favorable structure. The binding mode of compound 10b with VEGFR-2 tyrosine kinase was evaluated by molecular docking.