N-(3-[4-(2-[2,2,2-trifluoroethyl]guanidino)pyrimid-2-yloxy]propyl)nicotinamide | 84755-14-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(3-[4-(2-[2,2,2-trifluoroethyl]guanidino)pyrimid-2-yloxy]propyl)nicotinamide
• 英文别名: N-[3-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]oxypropyl]pyridine-3-carboxamide
• CAS: 84755-14-6
• 化学式: C₁₆H₁₈F₃N₇O₂
• 分子量: 397.36
• InChiKey: LTPBQZYMRJULPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0059597A2

  公开（公告）日：1982-09-08

  The invention relates to carbonyl derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention where is provided a guanidine derivative of the formula I:- in which R' and R2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-14C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R1 and R2 is halogen substituted, or R2 is hydrogen and R1 is R5-E-W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O, S, SO. SO2 or NR6 in which R6 is H or 1-6C alkyl, R5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R5 and R6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring, or R2 is H and R1 is H, 1-10C alkyl, 3-8C cycloalkyl, 4-14C cycloalkylalkyl, 3-6C alkenyl, 3-6C alkynyl, 1-6C alkanoyl, 6-10C aryl, 7-11C aralkyl or 7-11C aroyl; ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene, or a 1-8C alkylene into which is optionally inserted one or two groups: D is O or S; R4 is H or 1-6C alkyl; R3 is H or a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  本发明涉及组胺 H-2 拮抗剂和抑制胃酸分泌的羰基衍生物。根据本发明提供了一种式 I 的胍衍生物 其中R'和R2相同或不同，均为氢或1-10C烷基、3-8C环烷基或4-14C环烷基烷基，每个烷基、环烷基或环烷基烷基可选带一个或多个F、Cl或Br原子，条件是R1和R2之一被卤素取代，或R2为氢，R1为R5-E-W，其中W为可选被1或2个1-4C烷基取代的2-6C亚烷基，E为O、S、SO.SO2 或 NR6，其中 R6 是 H 或 1-6C 烷基，R5 是 H 或可选被 1 或 2 个 1-4C 烷基取代的 1-6C 烷基，或 R5 和 R6 连接形成吡咯烷、哌啶、吗啉、哌嗪或 N-甲基吡咯烷、或 R2 为 H，R1 为 H、1-10C 烷基、3-8C 环烷基、4-14C 环烷基、3-6C 烯基、3-6C 烷炔基、1-6C 烷酰基、6-10C 芳基、7-11C 芳基或 7-11C 芳基；环 X 是如说明书中所定义的杂环； A 是亚苯基或 5-7C 环亚烷基，或 1-8C 亚烷基，其中可选择插入一个或两个基团：D是O或S；R4是H或1-6C烷基；R3是H或说明书中描述的各种基团：及其药学上可接受的酸加成盐。还描述了制造工艺和药物组合物。
• US4496571A
  申请人：——

  公开号：US4496571A

  公开（公告）日：1985-01-29
• US4657908A
  申请人：——

  公开号：US4657908A

  公开（公告）日：1987-04-14