methyl 1-(4-chlorobenzyl)-2-(4-ethoxyphenylamino)-1H-benzo[d]imidazole-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: methyl 1-(4-chlorobenzyl)-2-(4-ethoxyphenylamino)-1H-benzo[d]imidazole-4-carboxylate
• 英文别名: Methyl 1-[(4-chlorophenyl)methyl]-2-(4-ethoxyanilino)benzimidazole-4-carboxylate；methyl 1-[(4-chlorophenyl)methyl]-2-(4-ethoxyanilino)benzimidazole-4-carboxylate
• 化学式: C₂₄H₂₂ClN₃O₃
• 分子量: 435.91
• InChiKey: POIFZHAXTBARGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 4-(4-chlorobenzylamine)-3-nitrobenzoic acid ester 在 palladium 10% on activated carbon 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 3.5h， 生成 methyl 1-(4-chlorobenzyl)-2-(4-ethoxyphenylamino)-1H-benzo[d]imidazole-4-carboxylate
  参考文献：
  名称：

  NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME

  摘要：

  公开号：

  EP2604260B1

文献信息

• NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED)
  申请人：Kai Hiroyuki

  公开号：US20130225596A1

  公开（公告）日：2013-08-29

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect. A pharmaceutical composition having a P2X 3 and/or P2X 2/3 receptor antagonistic effect comprising a compound of the formula (I): wherein ring A is substituted or unsubstituted 5 to 7-membered cycloalkane, substituted or unsubstituted 5 to 7-membered cycloalkene or the like; C is a carbon atom; —X— is —N(R 16 )— or the like; R 16 is hydrogen, substituted or unsubstituted alkyl or the like; R 7 is substituted or unsubstituted 5- or 6-membered heteroaryl, substituted or unsubstituted 6 to 10 membered aryl; Q 1 and Q 2 are each independently a carbon atom or a nitrogen atom; -L- is —O—, —S— or the like; R 6 is substituted or unsubstituted cycloalkyl, substituted or unsubstituted cycloalkenyl or the like; R 2 is hydrogen, hydroxy or the like, or its pharmaceutically acceptable salt or a solvate thereof.
• US9212130B2
  申请人：——

  公开号：US9212130B2

  公开（公告）日：2015-12-15