5-cyano-pentanimidic acid ethyl ester | 84157-70-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: 5-cyano-pentanimidic acid ethyl ester
• 英文别名: ω-Cyan-n-valerianimidsaeure-ethylester；1-Ethoxy-1-imino-5-cyan-pentan；Ethyl 5-cyanopentanimidate
• CAS: 84157-70-0
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: PRLTYCBRKTUEJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  56.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基-5-苯基噻吩-3-甲酸乙酯 、 5-cyano-pentanimidic acid ethyl ester 生成 5-(4-oxo-6-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-yl)-pentanenitrile
  参考文献：
  名称：

  Ried,W.; Giesse,R., Justus Liebigs Annalen der Chemie, 1968, vol. 713, p. 143 - 148

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 、 己二腈 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 5-cyano-pentanimidic acid ethyl ester
  参考文献：
  名称：

  Ried,W.; Stephan,W., Chemische Berichte, 1962, vol. 95, p. 3042 - 3047

  摘要：

  DOI：

文献信息

• Guanidine derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0060094A2

  公开（公告）日：1982-09-15

  The invention relates to guanidine 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 R' and R2 is halogen substituted, or R2 is hydrogen and R' is R5-E-W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR5 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;t ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene, or a 1-SC alkylene into which is optionally inserted one or two groups; D is 0 or S; and R3 and R4 are hydrogen 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胍衍生物。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，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R'和R2中的一个被卤素取代，或R2是氢，R'是R5-E-W，其中W是任选被1或2个1-4C烷基取代的2-6C亚烷基，E是O、S或NR5，其中R6是H或1-6C烷基，R5是H或任选被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-甲基哌嗪环；t 环 X 是本说明书中定义的杂环；A 是亚苯基或 5-7C 环亚烷基，或 1-SC 亚烷基，其中可选择插入一个或两个基团；D 是 0 或 S；R3 和 R4 是氢或本说明书中描述的各种基：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。
• Heterocyclic derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0060697A1

  公开（公告）日：1982-09-22

  This invention relates to heterocyclic derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I: in which R1 and R2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl, 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 RS-E-W- in which W is 2-6 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; ring X is a heterocyclic ring; A is phenylene or 5-7C cycloalkylene, or a 1-8C alkylene into which is optionally inserted one or two groups; and R3 and R4 are a variety of radicals 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杂环衍生物。根据本发明，提供了一种式 I 的胍衍生物： 其中 R1 和 R2（相同或不同）为氢或 1-10C 烷基、3-8C 环烷基、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 中的一个被卤素取代、或 R2 为氢，R1 为 RS-E-W-，其中 W 为可选被 1 或 2 个 1-4C 烷基取代的 2-6 亚烷基，E 为 O、S、SO、SO2 或 NR6，其中 R6 为 H 或 1-6C 烷基，R5 为 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-甲基哌嗪环；环 X 是杂环；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；R3 和 R4 是各种基团及其药学上可接受的酸加成盐。此外，还介绍了制造工艺和药物组合物。
• Bicyclic derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0060730A2

  公开（公告）日：1982-09-22

  The invention relates to bicyclic derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I: in which R1 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 R3-E-W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is 0, S, SO, S02 or NR4 in which R4 is H or 1-6C alkyl, R3 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R3 and R4 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; ring Y is a heterocyclic ring 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双环衍生物。根据本发明，提供了一种式 I 的胍衍生物： 其中 R1 和 R2 相同或不同，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 R3-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 0、S、SO、S02或NR4，其中R4是H或1-6C烷基，R3是H或1-6C烷基，可选择被1或2个1-4C烷基取代，或R3和R4连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪、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 是说明书中定义的杂环； 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； 环 Y 是说明书中描述的杂环：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。
• Amide derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0060093B1

  公开（公告）日：1986-05-28
• US4447441A
  申请人：——

  公开号：US4447441A

  公开（公告）日：1984-05-08