1-(4-Benzyloxy-1H-indol-3-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)-ethane-1,2-dione | 864186-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(4-Benzyloxy-1H-indol-3-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)-ethane-1,2-dione
• CAS: 864186-12-9
• 化学式: C₂₆H₂₂N₂O₃
• 分子量: 410.472
• InChiKey: HRTZADXTUKXLRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  62.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(4-Benzyloxy-1H-indol-3-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)-ethane-1,2-dione 在 lithium aluminium tetrahydride 作用下， 生成 1-[2-(4-Benzyloxy-1H-indol-3-yl)-ethyl]-1,2,3,4-tetrahydro-quinoline
  参考文献：
  名称：

  SAR of psilocybin analogs: Discovery of a selective 5-HT2C agonist

  摘要：

  An SAR study of psilocybin and psilocin derivatives reveals that 1-methylpsilocin is a selective agonist at the h5-HT2C receptor. The corresponding phosphate derivative, 1-methylpsilocybin, shows efficacy in an animal model for obsessive-compulsive disorder, as does 4-fluoro-N,N-dimethyltryptamine. These results suggest a new area for development of novel 5-HT2C agonists with applications for drug discovery. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.104
• 作为产物：
  描述：

  4-苄氧基吲哚 在 lithium aluminium tetrahydride 作用下， 生成 1-(4-Benzyloxy-1H-indol-3-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)-ethane-1,2-dione
  参考文献：
  名称：

  SAR of psilocybin analogs: Discovery of a selective 5-HT2C agonist

  摘要：

  An SAR study of psilocybin and psilocin derivatives reveals that 1-methylpsilocin is a selective agonist at the h5-HT2C receptor. The corresponding phosphate derivative, 1-methylpsilocybin, shows efficacy in an animal model for obsessive-compulsive disorder, as does 4-fluoro-N,N-dimethyltryptamine. These results suggest a new area for development of novel 5-HT2C agonists with applications for drug discovery. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.104