1-Isopropyl-4-[4-(1-ethyl-1H-benzo[d]imidazol-2-yl)piperazino]-1-(2-methylphenyl)butyl cyanide | 350852-37-8

• 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-Isopropyl-4-[4-(1-ethyl-1H-benzo[d]imidazol-2-yl)piperazino]-1-(2-methylphenyl)butyl cyanide
• 英文别名: 5-[4-(1-Ethylbenzimidazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)-2-propan-2-ylpentanenitrile
• CAS: 350852-37-8
• 化学式: C₂₈H₃₇N₅
• 分子量: 443.635
• InChiKey: YNSPKDKAUSAULX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  48.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound
  申请人：Eisai Co., Ltd.

  公开号：US20040220193A1

  公开（公告）日：2004-11-04

  The present invention provides a novel compound having a superior calcium antagonism, in particular, a neuron-selective calcium antagonism. Namely, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, Ar indicates an optionally substituted 5- to 14-membered aromatic ring etc.; the ring A indicates any one ring selected from a piperazine, a homopiperazine, a piperidine and the like; the ring B indicates an optionally substituted C 3-14 hydrocarbon ring etc.; E indicates a single bond, a group represented by the formula —CO—, etc.; X indicates a single bond, an oxygen atom etc.; R 1 indicates a hydrogen atom, a halogen atom, a hydroxyl group etc.; and D 1 , D 2 , W 1 and W 2 are the same as or different from each other and each represents a single bond or an optionally substituted C 1-6 alkylene chain.

  本发明提供了一种具有卓越的钙拮抗作用，特别是神经元选择性钙拮抗作用的新化合物。即，提供了下式所示的化合物、其盐或水合物。其中，Ar表示可选取的5-至14-成员芳香环等；环A表示选自哌嗪、同哌嗪、吡啶等任意一环；环B表示可选取的C3-14碳氢环等；E表示单键、由公式—CO—表示的基团等；X表示单键、氧原子等；R1表示氢原子、卤原子、羟基等；D1、D2、W1和W2相同或不同，每个代表单键或可选取的C1-6烷基链。
• NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：Eisai Co., Ltd.

  公开号：EP1254895A1

  公开（公告）日：2002-11-06

  The present invention provides a novel compound having a superior calcium antagonism, in particular, a neuron-selective calcium antagonism. Namely, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, Ar indicates an optionally substituted 5- to 14-membered aromatic ring etc.; the ring A indicates any one ring selected from a piperazine, a homopiperazine, a piperidine and the like; the ring B indicates an optionally substituted C3-14 hydrocarbon ring etc.; E indicates a single bond, a group represented by the formula -CO-, etc.; X indicates a single bond, an oxygen atom etc.; R1 indicates a hydrogen atom, a halogen atom, a hydroxyl group etc.; and D1, D2, W1 and W2 are the same as or different from each other and each represents a single bond or an optionally substituted C1-6 alkylene chain.

  本发明提供了一种新型化合物，它具有优异的钙拮抗作用，特别是神经元选择性钙拮抗作用。也就是说，本发明提供了由下式表示的化合物、其盐或它们的水合物。 式中，Ar 表示任选取代的 5 至 14 元芳香环等；环 A 表示选自哌嗪、均哌嗪、哌啶等的任一环；环 B 表示任选取代的 C3-14 碳氢环等。E表示单键、由式-CO-表示的基团等；X表示单键、氧原子等；R1表示氢原子、卤素原子、羟基等；D1、D2、W1 和 W2 彼此相同或不同，各自表示单键或任选取代的 C1-6 亚烷基链。
• US6906072B1
  申请人：——

  公开号：US6906072B1

  公开（公告）日：2005-06-14