2-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)isoindoline-1,3-dione | 106561-78-8

• 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: 2-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)isoindoline-1,3-dione
• CAS: 106561-78-8
• 化学式: C₂₅H₂₂N₂O₂
• 分子量: 382.462
• InChiKey: VXZLJMKBMSCXBF-UHFFFAOYSA-N

物化性质

• 沸点：
  560.0±49.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  40.62
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)isoindoline-1,3-dione 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 生成 3-(5,6-二氢苯并[b][1]苯并氮杂卓-11-基)丙-1-胺
  参考文献：
  名称：

  Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene

  摘要：

  Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for serotonin receptors (5-HT2A, K-i = 20 nM; 5-HT2c, K-i = 43 nM) versus the dopamine D-2 receptor (K-i >10,000 nM), as well as the serotonin and norepinephrine transporters (Ki >10,000 nM) further suggests that AMDA and the nonselective ligand imipramine interact with these target macromolecules in different ways. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00023-3
• 作为产物：
  描述：

  亚氨基二苄 在 三氟化硼四氢呋喃络合物 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)isoindoline-1,3-dione
  参考文献：
  名称：

  Influence of chain length and N-alkylation on the selective serotonin receptor ligand 9-(aminomethyl)-9,10-dihydroanthracene

  摘要：

  Comparison of the serotonin 5-HT2A receptor affinities of chain lengthened and N-alkylated analogues of the novel ligand 9-aminomethyl-9,10-dihydroanthracene (AMDA) and a structurally similar prototypical tricyclic amine imipramine suggests that the two agents bind to the receptor in different fashions. The demonstration that AMDA is highly selective for serotonin receptors (5-HT2A, K-i = 20 nM; 5-HT2c, K-i = 43 nM) versus the dopamine D-2 receptor (K-i >10,000 nM), as well as the serotonin and norepinephrine transporters (Ki >10,000 nM) further suggests that AMDA and the nonselective ligand imipramine interact with these target macromolecules in different ways. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00023-3