2-[4-[{4-butyl-2-methyl-6-oxo-1-(pyridin-2-yl)-1,6-dihydropyrimidin-5-yl}methyl]-2,6-dipropylphenoxy]-2-(2-chlorophenyl)acetic acid | 1256779-59-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-[4-[{4-butyl-2-methyl-6-oxo-1-(pyridin-2-yl)-1,6-dihydropyrimidin-5-yl}methyl]-2,6-dipropylphenoxy]-2-(2-chlorophenyl)acetic acid
• 英文别名: 2-[4-[(4-Butyl-2-methyl-6-oxo-1-pyridin-2-ylpyrimidin-5-yl)methyl]-2,6-dipropylphenoxy]-2-(2-chlorophenyl)acetic acid
• CAS: 1256779-59-5
• 化学式: C₃₅H₄₀ClN₃O₄
• 分子量: 602.173
• InChiKey: GQNJEQXWMPBFBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME
  申请人：Miura Toru

  公开号：US20120046308A1

  公开（公告）日：2012-02-23

  An α-phenoxybenzeneacetic acid derivative represented by general formula (I), which has both an angiotensin II receptor antagonistic activity and a PPARγ activation activity and is useful as a prophylactic and/or therapeutic agent for hypertension, metabolic syndrome or the like, a salt of the derivative, or a solvate of the derivative or the salt; and a pharmaceutical composition containing the derivative, the salt or the solvate. [In the formula, Q represents a group represented by formula (II) or (III) [wherein R 1 and R 1′ independently represent a C 1-6 alkyl group; R 2 and R 2′ independently represent a substituted or unsubstituted C 1-6 alkyl group; R 3 represents a hydrogen atom, a substituted or unsubstituted C 1-6 alkyl group, or a group represented by formula (IV) [wherein X and Y independently represent CH or N; Z represents a C 1-6 alkylene chain, or the like; R 11 represents a hydrogen atom, a C 6-10 aryl group, or the like; and m represents 0 or 1]; and R 4 represents a substituted C 1-6 alkyl group]; R 5 and R 6 independently represent a C 1-6 alkyl group: R 7 represents a carboxyl group, or the like; R 8 , R 9 and R 10 independently represent a hydrogen atom, a halogen atom, or the like; and n represents an integer of 1 to 3.]

  通用公式（I）表示的α-苯氧基苯乙酸衍生物，具有血管紧张素II受体拮抗活性和PPARγ激活活性，并可用作高血压、代谢综合征等的预防和/或治疗剂，或者衍生物的盐，或者衍生物或盐的溶剂；以及含有该衍生物、盐或溶剂的药物组合物。【在公式中，Q代表由公式（II）或（III）表示的基团【其中R1和R1'分别代表C1-6烷基基团；R2和R2'分别代表取代或未取代的C1-6烷基基团；R3代表氢原子、取代或未取代的C1-6烷基基团，或由公式（IV）表示的基团【其中X和Y独立地代表CH或N；Z代表C1-6烷基链等；R11代表氢原子、C6-10芳基基团等；m代表0或1】；而R4代表取代的C1-6烷基基团】；R5和R6独立地代表C1-6烷基基团；R7代表羧基等；R8、R9和R10独立地代表氢原子、卤素原子等；n代表1到3的整数。】