5-(3-aminopyrazol-1-yl)valeronitrile | 84158-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 5-(3-aminopyrazol-1-yl)valeronitrile
• 英文别名: 5-(3-amino-1H-pyrazol-1-yl)pentanenitrile；5-(3-aminopyrazol-1-yl)pentanenitrile
• CAS: 84158-01-0
• 化学式: C₈H₁₂N₄
• 分子量: 164.21
• InChiKey: IIZHXMZRHOYRGH-UHFFFAOYSA-N

物化性质

• 沸点：
  396.2±22.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(3-aminopyrazol-1-yl)valeronitrile 、 异氰酸丙酯 在 乙醇乙醚 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以gave 5-(3-[3-propylthioureido]pyrazol-1-yl)valeronitrile as a white solid (1.01 g.)的产率得到5-(3-[3-propylthioureido]pyrazol-1-yl)valeronitrile
  参考文献：
  名称：

  Amide derivatives

  摘要：

  本发明涉及酰胺衍生物，它们是组胺H-2拮抗剂并且抑制胃酸分泌。根据本发明，提供了式I的脲衍生物：##STR1## 其中，R1是氢或1-10C烷基，3-8C环烷基，4-14C环烷基烷基，3-6C烯基，3-6C炔基，1-6C烷酰基，6-10C芳基，7-11C芳基烷基或7-11C芳酰基，芳基，芳基烷基和芳酰基基团是可选的取代基；环X是如规范中定义的杂环；A是苯基或5-7C环烷基，或是一个1-8C烷基，其中可以插入一到两个基团；D是O或S；R2和R3是氢或规范中描述的各种基团；以及其药学上可接受的酸加成盐。还描述了制造过程和制药组合物。

  公开号：

  US04496564A1
• 作为产物：
  描述：

  5-(3-nitro-pyrazol-1-yl)valeronitrile 在 钯 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以to give 5-(3-aminopyrazol-1-yl)valeronitrile as an oil的产率得到5-(3-aminopyrazol-1-yl)valeronitrile
  参考文献：
  名称：

  Heterocyclic derivatives

  摘要：

  本发明涉及杂环衍生物，其为组胺H-2拮抗剂，并抑制胃酸分泌。根据本发明，提供了式I的鸟氨酸衍生物：##STR1## 其中R1和R2，相同或不同，是氢或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以携带一个或多个F，Cl或Br原子，前提是R1和R2中的一个是卤素取代的，或者R2是氢，R1是R5-E-W-，其中W是2-6烷基，可以选为1或2个1-4C烷基取代，E是O，S，SO，SO.sub.2或NR6，其中R6是H或1-6C烷基，R5是H或1-6C烷基，可以选为1或2个1-4C烷基取代，或者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是规范中定义的杂环；A是苯基或5-7C环烷基，或者是1-8C烷基，其中可以插入一或两个基团；R3和R4是规范中描述的各种基团；以及其药学上可接受的酸加成盐。还描述了制造工艺和制药组合物。

  公开号：

  US04795755A1

文献信息

• Haloalkylguanidine compounds, pharmaceutical compositions and methods,
  申请人：Imperial Chemical Industries PLC

  公开号：US04447441A1

  公开（公告）日：1984-05-08

  The invention relates to guanidine 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:- ##STR1## in which R.sup.1 and R.sup.2, 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.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; 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; and R.sup.3 and R.sup.4 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.

  该发明涉及胍基衍生物，它们是组胺H-2拮抗剂，能抑制胃酸分泌。根据该发明，提供了一种符合以下式I的胍基衍生物：- ##STR1## 其中R.sup.1和R.sup.2，相同或不同，是氢或1-10碳原子的烷基，3-8碳原子的环烷基或4-14碳原子的环烷基烷基，每个烷基、环烷基或环烷基烷基可选地携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个是卤素取代的，或者R.sup.2是氢而R.sup.1是R.sup.5--E--W，其中W是可选地由1或2个1-4碳原子的烷基取代的2-6碳原子的亚烷基，E是O、S或NR.sup.6，其中R.sup.6是H或1-6碳原子的烷基，R.sup.5是H或1-6碳原子的烷基，可选地由1或2个1-4碳原子的烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环；环X是规范中定义的杂环；A是苯基或5-7碳原子的环烷基，或者可选地插入一到两个基团的1-8碳原子的亚烷基；D是O或S；R.sup.3和R.sup.4是氢或规范中描述的各种基团；以及其药用可接受的酸加盐。还描述了制造工艺和药物组合物。
• Amide derivatives
  申请人：ICI Americas Inc.

  公开号：US04496564A1

  公开（公告）日：1985-01-29

  The invention relates to amide 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: ##STR1## in which R.sup.1 is a hydrogen or 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, the aryl, aralkyl and aroyl radical being optionally substituted; 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; and R.sup.2 and R.sup.3 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.

  本发明涉及作为组胺H-2拮抗剂并抑制胃酸分泌的酰胺衍生物。根据本发明，提供了一种胍衍生物，其具有式I的结构：##STR1## 其中R1为氢或1-10C烷基、3-8C环烷基、4-14C环烷基烷基、3-6C烯基、3-6C炔基、1-6C烷酰基、6-10C芳基、7-11C芳烷基或7-11C芳酰基，所述芳基、芳烷基和芳酰基基团可任选地被取代；环X为说明书中定义的杂环环；A为苯二烯或5-7C环烷二烯，或1-8C烷二烯，其中可任选地插入一个或两个基团；D为O或S；R2和R3为氢或说明书中描述的各种基团；以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：US04795755A1

  公开（公告）日：1989-01-03

  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: ##STR1## in which R.sup.1 and R.sup.2, 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 R.sup.1 and R.sup.2 is halogen-substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 -E-W- in which W is 2-6 alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S,SO,SO.sub.2 or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; 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; and R.sup.3 and R.sup.4 are a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  本发明涉及异噁唑衍生物，它们是组胺H-2拮抗剂，能抑制胃酸分泌。根据本发明，提供了一种式I的胍基衍生物：##STR1## 其中R.sup.1和R.sup.2，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地携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个是卤素取代的，或者R.sup.2是氢而R.sup.1是R.sup.5-E-W-，其中W是2-6烷基烯，可选地被1或2个1-4C烷基取代，E是O、S、SO、SO.sub.2或NR.sup.6，其中R.sup.6是H或1-6C烷基，R.sup.5是H或1-6C烷基，可选地被1或2个1-4C烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环；环X是规范中定义的杂环；A是苯基或5-7C环烷基，或者一个可选地插入一到两个基团的1-8C烷基；R.sup.3和R.sup.4是规范中描述的各种基团；以及其药用可接受的酸盐。还描述了制造工艺和药物组合物。
• Bicyclic guanidines
  申请人：Imperial Chemical Industries PLC

  公开号：US04463005A1

  公开（公告）日：1984-07-31

  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: ##STR1## in which R.sup.1 and R.sup.2, 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.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.3 -E-W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O, S, SO, SO.sub.2 or NR.sup.4 in which R.sup.4 is H or 1-6C alkyl, R.sup.3 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.3 and R.sup.4 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring, or R.sup.2 is H and R.sup.1 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 1-8 C 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.

  该发明涉及一类双环衍生物，它们是组织胺H-2受体拮抗剂，并且能够抑制胃酸分泌。根据该发明，提供了一种具有以下式I的胍基衍生物：##STR1## 其中R.sup.1和R.sup.2，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地携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个被卤素取代，或者R.sup.2为氢且R.sup.1为R.sup.3-E-W，其中W为2-6C烷基烯，可选地取代1或2个1-4C烷基，E为O、S、SO、SO.sub.2或NR.sup.4，其中R.sup.4为H或1-6C烷基，R.sup.3为H或1-6C烷基，可选地取代1或2个1-4C烷基，或者R.sup.3和R.sup.4连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环，或者R.sup.2为H且R.sup.1为H、1-10C烷基、3-8C环烷基、4-14C环烷基烷基、3-6C烯基、3-6C炔基、1-6C烷酰基、6-10C芳基、7-11C芳基烷基或7-11C芳酰基；环X为规范中定义的杂环；A为苯环或5-7C环烷基，或者可选地插入一到两个基团的1-8C烷基；环Y为规范中描述的杂环；以及其药用可接受的酸盐。还描述了制药过程和制药组合物。
• Haloalkylguanidine compounds, pharmaceutical compositions and methods
  申请人：ICI Americas Inc.

  公开号：US04665073A1

  公开（公告）日：1987-05-12

  The invention relates to guanidine 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: ##STR1## in which R.sup.1 and R.sup.2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-15C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; 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; and R.sup.3 and R.sup.4 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.

  本发明涉及一种胃酸分泌抑制剂组，为组胺H-2受体拮抗剂的胍衍生物。根据本发明，提供了一种公式I的胍衍生物：##STR1## 其中R.sup.1和R.sup.2，相同或不同，为氢或1-10C烷基，3-8C环烷基或4-15C环烷基烷基，每个烷基，环烷基或环烷基烷基可以携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个被卤素取代，或者R.sup.2为氢，R.sup.1为R.sup.5 --E--W，其中W为2-6C烷基，可选地被1或2个1-4C烷基取代，E为O、S或NR.sup.6，其中R.sup.6为H或1-6C烷基，R.sup.5为H或1-6C烷基，可选地被1或2个1-4C烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌嗪烷、吗啉、哌嗪或N-甲基哌嗪环；环X是如规范中所定义的杂环；A是苯撑或5-7C环烷撑，或者是1-8C烷基，其中可选择插入一或两个基团；D是O或S；以及其药学上可接受的酸加成盐。还描述了制造工艺和制药组合物。