4-Amino-N-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide | 138559-57-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Amino-N-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide
• 英文别名: 4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
• CAS: 138559-57-6
• 化学式: C₁₆H₂₀ClN₃O₂
• 分子量: 321.807
• InChiKey: RZYIIEGPJPMBOE-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  正溴丁烷 、 4-Amino-N-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide 以 乙醇 为溶剂， 生成 (R)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carbonyl)-amino]-1-butyl-1-azonia-bicyclo[2.2.2]octane; bromide
  参考文献：
  名称：

  Serotoninergic 5-HT3 and 5-HT4 receptor activities of dihydrobenzofuran carboxylic acid derivatives

  摘要：

  Structure-activity relationships in a series of dihydrobenzofuran derivatives related structurally to the 5-HT3 antagonist and 5-ET(4) agonist ADR 932 (1) were investigated. Members of this series, such as (18) and (23), were found to be 5-HT4 agonists or partial agonists endowed with remarkably high affinity and selectivity.

  DOI：

  10.1016/0960-894x(96)00002-9
• 作为产物：
  描述：

  (R)-1-氮杂双环[2.2.2]辛-3-基胺 、 4-氨基-5-氯-2,3-二氢苯并呋喃-7-羧酸 在 N,N'-羰基二咪唑 作用下， 生成 4-Amino-N-(1-azabicyclo(2.2.2)oct-3-yl)-5-chloro-2,3-dihydrobenzo(b)-furan-7-carboxamide
  参考文献：
  名称：

  Serotoninergic 5-HT3 and 5-HT4 receptor activities of dihydrobenzofuran carboxylic acid derivatives

  摘要：

  Structure-activity relationships in a series of dihydrobenzofuran derivatives related structurally to the 5-HT3 antagonist and 5-ET(4) agonist ADR 932 (1) were investigated. Members of this series, such as (18) and (23), were found to be 5-HT4 agonists or partial agonists endowed with remarkably high affinity and selectivity.

  DOI：

  10.1016/0960-894x(96)00002-9