(2,3,5-trimethyl-2,5-dihydro-<1H>-benzazepin-1-yl)ethane nitrile | 163459-42-5

• 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: (2,3,5-trimethyl-2,5-dihydro-<1H>-benzazepin-1-yl)ethane nitrile
• 英文别名: 2-(2,3,5-Trimethyl-2,5-dihydro-1-benzazepin-1-yl)acetonitrile
• CAS: 163459-42-5
• 化学式: C₁₅H₁₈N₂
• 分子量: 226.321
• InChiKey: FEIYVXHJRQHFCO-UHFFFAOYSA-N

物化性质

• 沸点：
  346.704±42.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  0.996±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  聚合甲醛 、 trimethyl-2,3,5 dihydro-2,5 benzo-b (1H) azepine 、 氰化钾 在 溶剂黄146 作用下， 反应 0.08h， 以89%的产率得到(2,3,5-trimethyl-2,5-dihydro-<1H>-benzazepin-1-yl)ethane nitrile
  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

文献信息

• 1-Benzazepine derivatives acting as ATP-dependent potassium-channels antagonists
  作者：JC Corbel、P Uriac、J Huet、CAE Martin、C Advenier

  DOI：10.1016/0223-5234(96)88204-3

  日期：1995.1

  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.