3-(4'-{[2-butyl-4-(4-fluorophenyl)-5-(morpholin-4-carbonyl)-1H-imidazol-1-yl]methyl}biphenyl-2-yl)-1,2,4-oxadiazol-5(4H)-one | 1313233-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(4'-{[2-butyl-4-(4-fluorophenyl)-5-(morpholin-4-carbonyl)-1H-imidazol-1-yl]methyl}biphenyl-2-yl)-1,2,4-oxadiazol-5(4H)-one
• 英文别名: 3-[2-[4-[[2-butyl-4-(4-fluorophenyl)-5-(morpholine-4-carbonyl)imidazol-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
• CAS: 1313233-61-2
• 化学式: C₃₃H₃₂FN₅O₄
• 分子量: 581.647
• InChiKey: LCCDFUCKBYXRTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  98
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL 1-(BIPHENYL-4-YL-METHYL)-1H-IMIDAZOLE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME
  申请人：Miura Toru

  公开号：US20120264753A1

  公开（公告）日：2012-10-18

  Disclosed is a novel 1-(biphenyl-4-yl-methyl)-1H-imidazole derivative represented by general formula (I), which has both angiotensin II receptor antagonist activity and PPAR-γ activating activity and is useful as a prophylactic and/or therapeutic agent for cardiovascular diseases and metabolic diseases. Also disclosed is a pharmaceutical composition which contains the novel 1-(biphenyl-4-yl-methyl)-1H-imidazole derivative. In general formula (I), ring A represents a group represented by formula (II) or (III); R 1 represents a C 1-6 alkyl group; R 2 represents a C 1-6 alkyl group which may be substituted by a hydroxy group, or a group represented by formula —CO—R 4 (wherein R 4 represents a hydroxy group, a C 1-6 alkoxy group, an amino group, a mono(C 1-6 alkyl)amino group, a di(C 1-6 alkyl)amino group, a morpholino group, a piperidino group or a pyrrolidino group); R 3 represents a halogen atom or a C 1-6 alkoxy group; and X and Y may be the same or different and each represents a nitrogen atom or CH.

  揭示了一种由通式（I）表示的新型1-(联苯基-4-基甲基)-1H-咪唑衍生物，具有血管紧张素II受体拮抗活性和PPAR-γ激活活性，并可用作心血管疾病和代谢性疾病的预防和/或治疗剂。还揭示了一种含有这种新型1-(联苯基-4-基甲基)-1H-咪唑衍生物的药物组合物。在通式（I）中，环A代表由式（II）或（III）表示的基团；R1代表C1-6烷基基团；R2代表可以被羟基取代的C1-6烷基基团，或者由式—CO—R4（其中R4代表羟基、C1-6烷氧基、氨基、单(C1-6烷基)氨基、二(C1-6烷基)氨基、吗啉基、哌啶基或吡咯基）表示的基团；R3代表卤素原子或C1-6烷氧基团；X和Y可以相同也可以不同，每个代表氮原子或CH。