7-Chloro-1-methyl-1,3,4,5-tetrahydro-benzo[d]azepin-2-one | 849663-05-4

• 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: 7-Chloro-1-methyl-1,3,4,5-tetrahydro-benzo[d]azepin-2-one
• 英文别名: 8-chloro-5-methyl-1,2,3,5-tetrahydro-3-benzazepin-4-one
• CAS: 849663-05-4
• 化学式: C₁₁H₁₂ClNO
• 分子量: 209.675
• InChiKey: BXXTXXQRCXBBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-Chloro-1-methyl-1,3,4,5-tetrahydro-benzo[d]azepin-2-one 在 硼烷 作用下， 以 乙醚 为溶剂， 生成 7-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
  参考文献：
  名称：

  Discovery and SAR of new benzazepines as potent and selective 5-HT2C receptor agonists for the treatment of obesity

  摘要：

  We report on the synthesis, biological evaluation and structure-activity relationships for a series of 3-benzazepine derivatives as 5-HT2C receptor agonists. The compounds were evaluated in functional assays measuring [H-3] phosphoinositol turnover in HEK-293 cells transiently transfected with h5-HT2C, h5-HT2A or h5-HT2B receptors. Several compounds are shown to be potent and selective 5-HT2C receptor agonists, which decrease food intake in a rat feeding model. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.080
• 作为产物：
  描述：

  2-(3-氯苯基)乙胺 在 吡啶 、 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 7-Chloro-1-methyl-1,3,4,5-tetrahydro-benzo[d]azepin-2-one
  参考文献：
  名称：

  Discovery and SAR of new benzazepines as potent and selective 5-HT2C receptor agonists for the treatment of obesity

  摘要：

  We report on the synthesis, biological evaluation and structure-activity relationships for a series of 3-benzazepine derivatives as 5-HT2C receptor agonists. The compounds were evaluated in functional assays measuring [H-3] phosphoinositol turnover in HEK-293 cells transiently transfected with h5-HT2C, h5-HT2A or h5-HT2B receptors. Several compounds are shown to be potent and selective 5-HT2C receptor agonists, which decrease food intake in a rat feeding model. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.080