1-[3-[[2-(5-Fluoro-1H-indol-3-yl)ethyl](2-phenoxyethyl)amino]propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[3-[[2-(5-Fluoro-1H-indol-3-yl)ethyl](2-phenoxyethyl)amino]propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
• 英文别名: 1-[3-[2-(5-fluoro-1H-indol-3-yl)ethyl-(2-phenoxyethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
• 化学式: C₃₆H₃₃F₂N₃O₂
• 分子量: 577.674
• InChiKey: ZKGVXAWFZKAGEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  43
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  61.3
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Benzofuran derivatives, their preparation and use
  申请人：H. Lundbeck A/S

  公开号：US20020032205A1

  公开（公告）日：2002-03-14

  The present invention relates to benzofuran derivatives having general Formula (I) 1 wherein A is selected from (1), (2), (3), (4) 2 wherein Z is O or S; s is 0 or 1; q is 0 or 1; R 4 is hydrogen, C 1-6 -alkyl, C 2-6 -alkenyl, C 2 6 -alkynyl, C 1-6 -alkyl-aryl, or C 1-6 -alkyl-O-aryl; D is a spacer group selected from branched or straight chain C 1-6 -alkylene, C 2-6 -alkenylene and C 2-6 -alkynylene; its enantiomers, and pharmaceutically acceptable acid addition salt thereof. The compounds are potently binding to the 5-HT 1A receptor.

  本发明涉及具有一般式(I)的苯并呋喃衍生物，其中A从(1)，(2)，(3)，(4)中选择，其中Z为O或S；s为0或1；q为0或1；R4为氢，C1-6-烷基，C2-6烯基，C2-6炔基，C1-6烷基-芳基或C1-6烷基-O-芳基；D是从支链或直链C1-6-烷基，C2-6-烯基和C2-6-炔基中选择的间隔基；其对映体和药学上可接受的酸加成盐。这些化合物具有与5-HT1A受体的强结合能力。
• BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE
  申请人：H. Lundbeck A/S

  公开号：EP1137644A1

  公开（公告）日：2001-10-04
• US6492374B2
  申请人：——

  公开号：US6492374B2

  公开（公告）日：2002-12-10
• [EN] BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE<br/>[FR] DERIVES DE BENZOFURANE, LEUR PREPARATION ET LEUR APPLICATION
  申请人：LUNDBECK & CO AS H

  公开号：WO2000034263A1

  公开（公告）日：2000-06-15

  The present invention relates to benzofuran derivatives having general Formula (I). A is selected from (1), (2), (3), (4) wherein: Z is O or S; s is 0 or 1; q is 0 or 1; R4 is hydrogen, C¿1-6?-alkyl, C2-6-alkenyl, C2-6-alkynyl, C1-6-alkyl-Aryl, or C1-6-alkyl-O-Aryl; D is a spacer group selected from branched or straight chain C1-6-alkylene, C2-6-alkenylene and C2-6-alkynylene; its enantiomers, and pharmaceutically acceptable acid addition salt thereof. The compounds are potently binding to the 5-HT1A receptor.