6,9-Dimethoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-2-en | 50525-85-4

• 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-1,2,4,5-tetrahydro-3H-3-benzazepin-2-en
• 英文别名: 6,9-Dimethoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-2-on；6,9-dimethoxy-1,3,4,5-tetrahydro-benzo[d]azepin-2-one；6,9-Dimethoxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
• CAS: 50525-85-4
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: DCCACUZOIUVUCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  6,9-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one 在 palladium on activated charcoal 、 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 6,9-Dimethoxy-1,2,4,5-tetrahydro-3H-3-benzazepin-2-en
  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

文献信息

• OKUNO Y.; KAWAMORI M.; HIRAO K.; YONEMITSU O., CHEM. AND PHARM. BULL. <CPBT-AL>, 1975, 23, NO 11, 2584-2590
  作者：OKUNO Y.、 KAWAMORI M.、 HIRAO K.、 YONEMITSU O.

  DOI：——

  日期：——