2-(4-methylpiperazino)-1-[1-(1-phenylcycloheptyl)-4-piperidinyl]-1H-benzimidazole

• 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: 2-(4-methylpiperazino)-1-[1-(1-phenylcycloheptyl)-4-piperidinyl]-1H-benzimidazole
• 英文别名: 2-(4-Methylpiperazin-1-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
• 化学式: C₃₀H₄₁N₅
• 分子量: 471.689
• InChiKey: IZQZQZPJZMYDBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  27.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 2-Chloro-1-[1-(1-phenylcycloheptyl)-4-piperidinyl]-1H-benzimidazole 反应 28.0h， 以88%的产率得到2-(4-methylpiperazino)-1-[1-(1-phenylcycloheptyl)-4-piperidinyl]-1H-benzimidazole
  参考文献：
  名称：

  Scalable Preparation of Benzimidazole Compounds

  摘要：

  The preparation of benzimidazole compound 7, an ORL-1 agonist, is described. The four-step procedure gave the compound 7 in 29% overall yield.

  DOI：

  10.1080/00397910701845837

文献信息

• 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists
  申请人：——

  公开号：US20030109549A1

  公开（公告）日：2003-06-12

  A compound of the formula: 1 or a pharmaceutically acceptable salt thereof, wherein R is unsubstituted, mono-, di- or tri-substituted (C 3 -C 11 )cycloalkyl or (C 3 -C 11 )cycloalkenyl or the like, A is unsubstituted (C 1 -C 7 )alkyl or (C 2 -C 5 )alkenyl, or unsubstituted, mono-, di- or tri-substituted aryl, or aromatic-heterocyclic or the like, Y is hydrogen, halo, amino or mercapto, or unsubstituted, mono-, di- or tri-substituted (C 1 -C 10 )alkyl-M—, (C 3 -C 7 )cycloalkyl-M—, (C 2 -C 6 )alkenyl-M—, (C 1 -C 4 )alkyl-NH—((C 1 -C 4 )alkyl)-M—, di(C 1 -C 4 )alkyl-N—((C 1 -C 4 )alkyl)-M—, aryl-M—, aromatic or non-aromatic heterocyclic-M—, aryl-(C 1 -C 5 )alkyl-M— or aromatic non-aromatic heterocyclic-(C 1 -C 5 )alkyl-M—, wherein M is a covalent bond O, S, NH or the like, or the like; Z 1 , Z 2 , Z 3 and Z 4 are hydrogen or the like, has ORL1-receptor agonist activity, and are useful as analgesics or the like in mammalian subjects.

  公式为1的化合物或其药学上可接受的盐，其中R为未取代，单取代，双取代或三取代（C3-C11）环烷基或（C3-C11）环烯基或类似物，A为未取代的（C1-C7）烷基或（C2-C5）烯基，或未取代，单取代，双取代或三取代的芳基，或芳香杂环或类似物，Y为氢，卤素，氨基或巯基，或未取代，单取代，双取代或三取代的（C1-C10）烷基-M-，（C3-C7）环烷基-M-，（C2-C6）烯基-M-，（C1-C4）烷基-NH-（（C1-C4）烷基）-M-，双（C1-C4）烷基-N-（（C1-C4）烷基）-M-，芳基-M-，芳香或非芳香杂环-M-，芳基-(C1-C5)烷基-M-或芳香非芳香杂环-(C1-C5)烷基-M-，其中M是共价键O，S，NH或类似物，或类似物；Z1，Z2，Z3和Z4为氢或类似物，具有ORL1受体激动剂活性，并且在哺乳动物主体中用作镇痛剂或类似物。
• 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS
  申请人：PFIZER INC.

  公开号：EP1102762A2

  公开（公告）日：2001-05-30
• US6172067B1
  申请人：——

  公开号：US6172067B1

  公开（公告）日：2001-01-09
• [EN] 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS<br/>[FR] COMPOSÉS DE 1-PIPÉRIDYL BENZIMIDAZOLE SUBSTITUÉ EN 2, AGONISTES DU RÉCEPTEUR ORL1
  申请人：PFIZER PHARMA

  公开号：WO2000008013A2

  公开（公告）日：2000-02-17

  A compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R is unsubstituted, mono-, di- or tri-substituted (C3-C11)cycloalkyl or (C3-C11)cycloalkenyl or the like, A is unsubstituted (C1-C7)alkyl or (C2-C5)alkenyl, or unsubstituted, mono-, di- or tri-substituted aryl, or aromatic-heterocyclic or the like, Y is hydrogen, halo, amino or mercapto, or unsubstituted, mono-, di- or tri-substituted (C1-C10)alkyl-M-, (C3-C7)cycloalkyl-M-, (C2-C6)alkenyl-M-, (C1-C4)alkyl-NH-((C1-C4)alkyl)-M-, di(C1-C4)alkyl-N-((C1-C4)alkyl)-M-, aryl-M-, aromatic or non-aromatic heterocyclic-M-, aryl-(C1-C5)alkyl-M- or aromatic non-aromatic heterocyclic-(C1-C5)alkyl-M-, wherein M is a covalent bond O, S, NH or the like, or the like; Z?1, Z2, Z3 and Z4¿ are hydrogen or the like, has ORL1-receptor agonist activity, and are useful as analgesics or the like in mammalian subjects.
• Scalable Preparation of Benzimidazole Compounds
  作者：Noriaki Murase、Yoshinori Murata、Toyoharu Numata、Kunio Satake

  DOI：10.1080/00397910701845837

  日期：2008.4

  The preparation of benzimidazole compound 7, an ORL-1 agonist, is described. The four-step procedure gave the compound 7 in 29% overall yield.