1-(2-aminoethyl)-2,3,5-trimethyl-2,5-dihydro-<1H>-1-benzazepine | 163459-57-2

• 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: 1-(2-aminoethyl)-2,3,5-trimethyl-2,5-dihydro-<1H>-1-benzazepine
• 英文别名: 2-(2,3,5-Trimethyl-2,5-dihydro-1-benzazepin-1-yl)ethanamine
• CAS: 163459-57-2
• 化学式: C₁₅H₂₂N₂
• 分子量: 230.353
• InChiKey: RLJYEZSQGUVIQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-aminoethyl)-2,3,5-trimethyl-2,5-dihydro-<1H>-1-benzazepine 在 potassium tert-butylate 作用下， 以 乙二醇二甲醚 、 苯 为溶剂， 反应 3.0h， 生成 (2R^*,3R^*)-1-<2-(N-phenylaminocarbonylamino)ethyl>-2,3,5-trimethyl-2,3-dihydro-<1H>-1-benzazepine
  参考文献：
  名称：

  1-Benzazepine derivatives acting as ATP-dependent potassium-channels antagonists

  摘要：

  In order to select between various pharmacological activities related to the 1-benzazepine nucleus, a set of 1-benzazepine derivatives bearing different N-1 or C-2 substituents were synthesized and tested in vitro as ATP-dependent Kf-channel antagonists on isolated guinea-pig trachea. Cumulative concentration curves to cromakalim were constructed in the absence or presence of the various compounds tested in comparison with glibenclamide. Products bearing N-1 substituents, especially (2-imidazolinyl)methyl showed a non-competitive antagonism towards ATP-dependent K+ channels.

  DOI：

  10.1016/0223-5234(96)88204-3
• 作为产物：
  描述：

  (2,3,5-trimethyl-2,5-dihydro-<1H>-benzazepin-1-yl)ethane nitrile 在 lithium aluminium tetrahydride 、 三氯化铝 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以91%的产率得到1-(2-aminoethyl)-2,3,5-trimethyl-2,5-dihydro-<1H>-1-benzazepine
  参考文献：
  名称：

  1-Benzazepine derivatives acting as ATP-dependent potassium-channels antagonists

  摘要：

  In order to select between various pharmacological activities related to the 1-benzazepine nucleus, a set of 1-benzazepine derivatives bearing different N-1 or C-2 substituents were synthesized and tested in vitro as ATP-dependent Kf-channel antagonists on isolated guinea-pig trachea. Cumulative concentration curves to cromakalim were constructed in the absence or presence of the various compounds tested in comparison with glibenclamide. Products bearing N-1 substituents, especially (2-imidazolinyl)methyl showed a non-competitive antagonism towards ATP-dependent K+ channels.

  DOI：

  10.1016/0223-5234(96)88204-3