7-Amino-1-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one | 1153516-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7-Amino-1-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
• 英文别名: 7-amino-1-ethyl-4,5-dihydro-3H-1-benzazepin-2-one
• CAS: 1153516-03-0
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: KFGYWNGKMWHXML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methoxypyridine-3-carboxylic acid 、 7-Amino-1-ethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(1-ethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)-2-methoxypyridine-3-carboxamide
  参考文献：
  名称：

  Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors

  摘要：

  A series of novel 5-(benzyloxy)pyridin-2(1H)-ones were designed, synthesized and biologically evaluated for c-Met inhibition. Various amides and benzoimidazoles at C-3 position were investigated. A potent compound 12b with a c-Met IC50 of 12 nM was identified. This compound exhibited potent inhibition of EBC-1 cell associated with c-Met constitutive activation and showed high selectivity for c-Met than other tested 11 kinases. The binding model 12b with c-Met was disclosed by docking analysis. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.037

文献信息

• Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors
  作者：Dengyou Zhang、Jing Ai、Zhongjie Liang、Wei Zhu、Xia Peng、Xianjie Chen、YinChun Ji、Hualiang Jiang、Cheng Luo、Meiyu Geng、Hong Liu

  DOI：10.1016/j.bmcl.2013.02.037

  日期：2013.4

  A series of novel 5-(benzyloxy)pyridin-2(1H)-ones were designed, synthesized and biologically evaluated for c-Met inhibition. Various amides and benzoimidazoles at C-3 position were investigated. A potent compound 12b with a c-Met IC50 of 12 nM was identified. This compound exhibited potent inhibition of EBC-1 cell associated with c-Met constitutive activation and showed high selectivity for c-Met than other tested 11 kinases. The binding model 12b with c-Met was disclosed by docking analysis. (C) 2013 Elsevier Ltd. All rights reserved.