2-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-8-fluoro-5-(4-fluoro-phenyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | 73931-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-8-fluoro-5-(4-fluoro-phenyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
• 英文别名: 2-[4,4-bis(4-fluorophenyl)but-3-enyl]-8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• CAS: 73931-30-3
• 化学式: C₃₃H₂₆F₄N₂
• 分子量: 526.576
• InChiKey: SIDZPDJJPHAWML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  8.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-8-fluoro-5-(4-fluoro-phenyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 反应 4.5h， 生成 8-fluoro-5-(4-fluorophenyl)-2-<4,4-bis(4-fluorophenyl)butyl>-1,2,3,4-tetrahydro-γ-carboline
  参考文献：
  名称：

  Neuroleptic activity in 5-aryltetrahydro-.gamma.-carbolines

  摘要：

  A series of 5-aryltetrahydro-gamma-carbolines was prepared by a novel N-arylation procedure and tested for neuroleptic activity in a rat antiamphetamine model. The systematic exploration of structural parameters leading to 8-fluoro-5-(4-fluorophenyl)-2-[4-hydroxy-4-(4-fluorophenyl)butyl]-2,3,5-tetrahydro-1H-pyrido[4,3-b]indole (CP-36,584, flutroline), a potent and long-acting neuroleptic compound, is described. These semirigid compounds provide a new, structurally distinct series with which to probe the conformational requirements for potent activity at the dopamine receptor.

  DOI：

  10.1021/jm00180a011
• 作为产物：
  描述：

  4-[8-Fluoro-5-(4-fluoro-phenyl)-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl]-1,1-bis-(4-fluoro-phenyl)-butan-1-ol 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 2-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-8-fluoro-5-(4-fluoro-phenyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
  参考文献：
  名称：

  Neuroleptic activity in 5-aryltetrahydro-.gamma.-carbolines

  摘要：

  A series of 5-aryltetrahydro-gamma-carbolines was prepared by a novel N-arylation procedure and tested for neuroleptic activity in a rat antiamphetamine model. The systematic exploration of structural parameters leading to 8-fluoro-5-(4-fluorophenyl)-2-[4-hydroxy-4-(4-fluorophenyl)butyl]-2,3,5-tetrahydro-1H-pyrido[4,3-b]indole (CP-36,584, flutroline), a potent and long-acting neuroleptic compound, is described. These semirigid compounds provide a new, structurally distinct series with which to probe the conformational requirements for potent activity at the dopamine receptor.

  DOI：

  10.1021/jm00180a011

文献信息

• HARBERT C. A.; PLATTNER J. J.; WELCH W. M.; WEISSMAN A.; KOE B. K., J. MED. CHEM., 1980, 23, NO 6, 635-643
  作者：HARBERT C. A.、 PLATTNER J. J.、 WELCH W. M.、 WEISSMAN A.、 KOE B. K.

  DOI：——

  日期：——