4-((5-amino-1H-indol-1-yl)methyl)-N-methylpicolinamide | 1547120-05-7

• 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: 4-((5-amino-1H-indol-1-yl)methyl)-N-methylpicolinamide
• CAS: 1547120-05-7
• 化学式: C₁₆H₁₆N₄O
• 分子量: 280.329
• InChiKey: LZOMRHFXVVPLOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.94
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(4-chloro-3-trifluoromethylphenyl)-1H-imidazole-1-carboxamide 、 4-((5-amino-1H-indol-1-yl)methyl)-N-methylpicolinamide 以 二氯甲烷 为溶剂， 反应 1.0h， 以273 mg的产率得到4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]methyl]-N-methylpyridine-2-carboxamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase

  摘要：

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.006
• 作为产物：
  描述：

  4-(bromomethyl)-N-methylpyridine-2-carboxamide 在 5%-palladium/activated carbon 、 氢气 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 4-((5-amino-1H-indol-1-yl)methyl)-N-methylpicolinamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase

  摘要：

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.006