4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]methyl]-N-methylpyridine-2-carboxamide | 1547120-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[5-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]methyl]-N-methylpyridine-2-carboxamide
• CAS: 1547120-45-5
• 化学式: C₂₄H₁₉ClF₃N₅O₂
• 分子量: 501.895
• InChiKey: XYGNTNJKZIDUNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2-甲基氨基羰基-4-吡啶基)甲醇 在 四溴化碳 、 5%-palladium/activated carbon 、 氢气 、 sodium hydride 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 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

文献信息

• Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase
  作者：Zeng Wu、Ming Yan、Shi-He Hu、Zhi-Cheng Yu、Yong Zhu、Ya-Dong Cheng、Hai-Chun Liu、Yan-Min Zhang、Si-Hui Yao、Wei-Fang Tang、Tao Lu

  DOI：10.1016/j.cclet.2013.11.006

  日期：2014.2

  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.