2-n-Butyl-6-methoxycarbonylmethyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-4(3H)-pyrimidone | 137416-27-4

• 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: 2-n-Butyl-6-methoxycarbonylmethyl-3-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-4(3H)-pyrimidone
• 英文别名: methyl 2-[2-butyl-6-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]acetate
• CAS: 137416-27-4
• 化学式: C₂₅H₂₆N₆O₃
• 分子量: 458.52
• InChiKey: KADNTYVPGYGBSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Nitrogen-containing heterocyclic compounds, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0445811A2

  公开（公告）日：1991-09-11

  Nitrogen-containing heterocyclic compounds of the formula (I): wherein Y is N or CH; R1, which may be optionally bound through a hetero atom, is a hydrocarbon residue which may be substituted; R2 and R3 which may be same or different, are each independently hydrogen, cyano, nitro, optionally substituted lower alkyl, or -COD wherein D is alkoxy, hydroxy, halogen, or optionally substituted amino; or R2 and R3 are taken together to form a benzene ring which may be substituted; the dotted line is a chemical bond; Z is bound to a hetero nitrogen atom and is a group having the formula: wherein R4 is hydrogen, halogen or nitro, and R5 is a residue capable of forming an anion or a residue convertible into an anion; A is a direct bond or a spacer having atomic length of two or less between the phenylene group and the phenyl group; and n is an integer of 1 or 2; and the pharmaceutically acceptable salts thereof, have potent angiotensin II antagonist activity and antihypertensive activity, thus being useful as therapeutic agents for treating circulatory system diseases such as hypertensive diseases, heart diseases, strokes, etc.

  式(I)的含氮杂环化合物： 其中 Y 是 N 或 CH；R1（可选择通过杂原子结合）是可被取代的烃残基；R2 和 R3（可相同或不同）各自独立地是氢、氰基、硝基、可选择取代的低级烷基或 -COD，其中 D 是烷氧基、羟基、卤素或可选择取代的氨基；或 R2 和 R3 一起形成可被取代的苯环；虚线是化学键；Z 与杂氮原子结合，是具有式（I）的基团： 其中 R4 是氢、卤素或硝基，R5 是能形成阴离子的残基或可转化为阴离子的残基；A 是直接键或亚苯基和苯基之间原子长度为 2 或更小的间隔键；n 是 1 或 2 的整数；其药学上可接受的盐具有强效血管紧张素 II 拮抗剂活性和抗高血压活性，因此可用作治疗高血压疾病、心脏病、中风等循环系统疾病的治疗剂。
• US5304565A
  申请人：——

  公开号：US5304565A

  公开（公告）日：1994-04-19