4'-[6-(N-{3-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxyacetylamino]-2-(N-methylamino)pyridin-6-yl}-N-methylaminomethyl)-4-methyl-2-propyl-1H-benzimidazol-1-ylmethyl]biphenyl-2-carboxylic acid methyl ester | 1350440-43-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-[6-(N-{3-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxyacetylamino]-2-(N-methylamino)pyridin-6-yl}-N-methylaminomethyl)-4-methyl-2-propyl-1H-benzimidazol-1-ylmethyl]biphenyl-2-carboxylic acid methyl ester
• 英文别名: Methyl 2-[4-[[6-[[[5-[[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]acetyl]amino]-6-(methylamino)pyridin-2-yl]-methylamino]methyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate；methyl 2-[4-[[6-[[[5-[[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]acetyl]amino]-6-(methylamino)pyridin-2-yl]-methylamino]methyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate
• CAS: 1350440-43-5
• 化学式: C₄₆H₄₇N₇O₆S
• 分子量: 825.988
• InChiKey: ZZJAJARTZJPAJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  60
• 可旋转键数：
  17
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  182
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4'-[6-(N-{3-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxyacetylamino]-2-(N-methylamino)pyridin-6-yl}-N-methylaminomethyl)-4-methyl-2-propyl-1H-benzimidazol-1-ylmethyl]biphenyl-2-carboxylic acid methyl ester 在 盐酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 7.0h， 生成 4'-[6-(N-{2-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxymethyl]-3-methyl-3H-imidazo[4,5-b]pyridin-5-yl}-N-methylaminomethyl)-4-methyl-2-propyl-1H-benzimidazol-1-ylmethyl]biphenyl-2-carboxylic acid
  参考文献：
  名称：

  EP2581373

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 4'-((6-(((5-amino-6-(methylamino)pyridin-2-yl)(methyl)amino)methyl)-4-methyl-2-propyl-1H-benzo[d]imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylate 、 4-(2,4-二氧代噻唑啉-5-基甲基)苯氧乙酸 在 氰基磷酸二乙酯 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以0.63g的产率得到4'-[6-(N-{3-[4-(2,4-dioxothiazolidin-5-ylmethyl)phenoxyacetylamino]-2-(N-methylamino)pyridin-6-yl}-N-methylaminomethyl)-4-methyl-2-propyl-1H-benzimidazol-1-ylmethyl]biphenyl-2-carboxylic acid methyl ester
  参考文献：
  名称：

  EP2581373

  摘要：

  公开号：

文献信息

• BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita Takashi

  公开号：US20130165446A1

  公开（公告）日：2013-06-27

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明解决了寻找既具有PPAR激活活性又具有血管紧张素受体拮抗活性的化合物的问题。本发明是一种由通式（I）表示的苯并或吡啶-咪唑衍生物，其药学上可接受的盐，或其酯或酰胺（其中A是联苯甲基咪唑基，联苯甲基苯并咪唑基或类似物，B是二价苯并咪唑基或类似物，C是羧基或类似物，E是二价苯基，萘基或类似物，G是悬键，氧或类似物，Q是氧或硫，n是从1到6的整数，p是从1到6的整数，V是悬键，氧或类似物，R是氢，烷基或类似物）。
• BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita, Takashi

  公开号：EP2581373A1

  公开（公告）日：2013-04-17

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明要解决的问题是找到一种既具有 PPAR 激活活性又具有血管紧张素受体拮抗活性的化合物。本发明是通式（I）代表的苯并咪唑或吡啶咪唑衍生物、其药学上可接受的盐或其酯或酰胺（其中 A 是联苯甲基咪唑基、联苯甲基苯并咪唑基或类似物，B 是二价苯并咪唑基或类似物、C 是羧基或类似物，E 是二价苯基、萘基或类似物，G 是悬键、氧或类似物，Q 是氧或硫，n 是 1 到 6 的整数，p 是 1 到 6 的整数，V 是悬键、氧或类似物，R 是氢、烷基或类似物）。
• EP2581373
  申请人：——

  公开号：——

  公开（公告）日：——