6,9-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin | 53970-44-8

• 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: 6,9-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin
• 英文别名: 6,9-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
• CAS: 53970-44-8
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: PXLRXGBZUPGSEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,9-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin 、 三氟乙酸酐 生成
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071
• 作为产物：
  描述：

  6,9-Dimethoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-2-en 在 硼烷四氢呋喃络合物 作用下， 生成 6,9-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071