2-{5-{[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-pentyl-1,6-dihydropyrimidin-5-yl]methyl}pyridin-2-yl}benzonitrile | 1400691-08-8

• 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: 2-{5-{[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-pentyl-1,6-dihydropyrimidin-5-yl]methyl}pyridin-2-yl}benzonitrile
• 英文别名: 2-[5-[[2-Cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-pentylpyrimidin-5-yl]methyl]pyridin-2-yl]benzonitrile
• CAS: 1400691-08-8
• 化学式: C₃₁H₃₂N₆O₂
• 分子量: 520.634
• InChiKey: QRLXUCNHUGEPQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME
  申请人：Miura Toru

  公开号：US20140011823A1

  公开（公告）日：2014-01-09

  The present invention provides: a compound represented by general formula (I) below, that has both angiotensin II receptor antagonism and a PPARγ activation effect and that is useful as a preventative and/or therapeutic agent for high blood pressure, cardiac disease, arteriosclerosis, type-2 diabetes, and the like; and a drug composition containing the compound. General formula (I) (in the formula: ring A represents a pyridine ring; ring B represents a tetrazole ring or an oxadiazol-5(4H)-one ring; X represents C—R 5 or a nitrogen atom; R 1 represents an alkyl group; R 2 represents an alkyl group or a cycloalkyl group; and R 3 , R 4 , and R 5 each independently represents a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group or similar.

  本发明提供以下通式（I）所表示的化合物，该化合物具有血管紧张素II受体拮抗作用和PPARγ激活作用，并可用作预防和/或治疗高血压、心脏疾病、动脉硬化、2型糖尿病等药物；以及含有该化合物的药物组合物。通式（I）中：环A表示吡啶环；环B表示四唑环或氧代噻唑-5（4H）-酮环；X表示C—R5或氮原子；R1表示烷基；R2表示烷基或环烷基；R3、R4和R5各自独立地表示氢原子、卤素原子、烷基、烷氧基或类似物。
• US9315493B2
  申请人：——

  公开号：US9315493B2

  公开（公告）日：2016-04-19