1-[1,4-Benzodioxan-5-yl]-4-[2-(6-bromobenzofuran-3-yl)ethyl]piperazine | 285999-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-[1,4-Benzodioxan-5-yl]-4-[2-(6-bromobenzofuran-3-yl)ethyl]piperazine
• 英文别名: 1-[2-(6-Bromo-1-benzofuran-3-yl)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
• CAS: 285999-71-5
• 化学式: C₂₂H₂₃BrN₂O₃
• 分子量: 443.34
• InChiKey: MGVBNLOCAAHUHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

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

  公开号：US20020035113A1

  公开（公告）日：2002-03-21

  A piperidine, tetrahydropyridine or piperazine derivative having formula (I), 1 any of its enantiomers or any mixture thereof, or an acid addition salt thereof, wherein B is C 1-10 -alkylene, C 1-10 -alkenylene or C 1-10 -alkynylene; X is —O—, —S—, or CR 4 R 5 —; and Y is —CR 6 R 7 , —CR 6 R 7 —CR 8 R 9 , or CR 6 ═CR 7 —; or X and Y together form a group —CR 4 ═CR 5 , or —CR 4 —CR 5 —CR 6 R 7 —; Z is —O—, or —S—; W is N, C, or CH, and the dotted line is an optional bond; A is a bicyclic ring selected from (Ia) or (Ib) wherein E 1 , E 2 and E 3 are selected from O, S, N, NR 11 , C, CR 12 and CHR 13 , and the dotted line indicates an optional bond, provided that E 2 and E 1 and/or E 3 may not simultaneously be O, or S. The compounds of the invention are considered useful for the treatment of affective disorders, such as depression, psychosis, anxiety disorders including general anxiety disorder, panic disorder, obsessive compulsive disorder, and eating disorders.

  一种具有公式（I）的哌啶，四氢吡啶或哌嗪衍生物，其中B为C1-10-烷基，C1-10-烯基或C1-10-炔基; X为—O—，—S—或CR4R5—; Y为—CR6R7，—CR6R7—CR8R9或CR6═CR7—; 或X和Y一起形成一个群组—CR4═CR5，或—CR4—CR5—CR6R7—; Z为—O—或—S—; W为N，C或CH，虚线为可选键; A为从（Ia）或（Ib）中选择的双环环，其中E1，E2和E3选择自O，S，N，NR11，C，CR12和CHR13，并且虚线表示可选键，前提是E2和E1和/或E3不能同时为O或S。本发明的化合物被认为对治疗情感障碍有用，例如抑郁症，精神病，焦虑症，包括普通焦虑症，恐慌症，强迫症和进食障碍。
• PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE
  申请人：H. Lundbeck A/S

  公开号：EP1149087B1

  公开（公告）日：2004-04-07
• US6596722B2
  申请人：——

  公开号：US6596722B2

  公开（公告）日：2003-07-22