4'-{{4-butyl-2-methyl-6-{[5-methyl-2-(p-tolyl)oxazol-4-yl]methoxy}pyrimidin-5-yl}methyl}-[1,1'-biphenyl]-2-carbonitrile | 1332766-80-9

• 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: 4'-{{4-butyl-2-methyl-6-{[5-methyl-2-(p-tolyl)oxazol-4-yl]methoxy}pyrimidin-5-yl}methyl}-[1,1'-biphenyl]-2-carbonitrile
• 英文别名: 2-[4-[[4-Butyl-2-methyl-6-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]pyrimidin-5-yl]methyl]phenyl]benzonitrile
• CAS: 1332766-80-9
• 化学式: C₃₅H₃₄N₄O₂
• 分子量: 542.681
• InChiKey: PVOZKYIGFOKWRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  84.8
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• COMPOUND CONTAINING A NOVEL 4-ALKOXYPYRIMIDINE STRUCTURE AND MEDICINE CONTAINING SAME
  申请人：Miura Toru

  公开号：US20120322819A1

  公开（公告）日：2012-12-20

  Disclosed is novel compound and medicinal formulation containing same, possessing both angiotensin II receptor blocking and PPARγ activation effect, of use as a medicine for prevention and/or treatment of hypertension, heart disease, angina pectoris, cerebrovascular disorder, cerebral circulatory disturbances, post-ischemic peripheral circulatory damage, renal disease, arteriosclerosis, inflammatory disorder, type 2 diabetes, diabetic complications, insulin resistance syndrome, syndrome X, metabolic syndrome and hyperinsulinaemia. Further disclosed is the general formula I (where one or both of R 1 and R 2 represent a C 1-6 alkyl group, R 3 represents a C 1-6 alkyl group which may contain one or more substituent groups selected from group A, or a C 3-8 cycloalkyl group which may contain one or more substituent groups selected from group B.) which represents the compound, and salts thereof, solvates thereof, and medicinal compositions containing any of these.

  本文披露了一种新型化合物和含有该化合物的药物配方，具有同时具有抗血管紧张素II受体阻断和PPARγ激活作用的特性，可用作预防和/或治疗高血压、心脏病、心绞痛、脑血管疾病、脑循环障碍、缺血后周围循环损伤、肾脏疾病、动脉硬化、炎症性疾病、2型糖尿病、糖尿病并发症、胰岛素抵抗综合征、X综合征、代谢综合征和高胰岛素血症的药物。进一步披露了一般式I（其中R1和/或R2代表C1-6烷基基团，R3代表一个C1-6烷基基团，可以含有从A组中选择的一个或多个取代基，或者一个C3-8环烷基基团，可以含有从B组中选择的一个或多个取代基。）代表该化合物，以及其盐、溶剂化合物和含有这些化合物的药物组成物。