N-[4-{6-[5-ethoxycarbonyl-1-{2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl}-2-propyl-1H-imidazol-4-ylmethylthio]-1-methyl-1H-benzimidazol-2-ylmethoxy}phenylmethyl]-N-phenyloxycarbonylaminoacetic acid | 1350439-43-8

• 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: N-[4-{6-[5-ethoxycarbonyl-1-{2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl}-2-propyl-1H-imidazol-4-ylmethylthio]-1-methyl-1H-benzimidazol-2-ylmethoxy}phenylmethyl]-N-phenyloxycarbonylaminoacetic acid
• 英文别名: 2-[[4-[[6-[[5-ethoxycarbonyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methylsulfanyl]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl-phenoxycarbonylamino]acetic acid
• CAS: 1350439-43-8
• 化学式: C₄₉H₄₇N₉O₇S
• 分子量: 906.034
• InChiKey: BAQLYYURYRPNTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  66
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  218
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  N-[4-{(6-[5-ethoxycarbonyl-1-{2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl}-2-propyl-1H-imidazol-4-ylmethylthio]-1-methyl-1H-benzimidazol-2-yl)methoxy}phenylmethyl]-N-phenyloxycarbonylaminoacetic acid ethyl ester 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 1.0h， 以160 mg的产率得到N-[4-{6-[5-ethoxycarbonyl-1-{2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl}-2-propyl-1H-imidazol-4-ylmethylthio]-1-methyl-1H-benzimidazol-2-ylmethoxy}phenylmethyl]-N-phenyloxycarbonylaminoacetic acid
  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：——