法莫替丁酸甲酯盐酸盐 | 76824-14-1

• 物质功能分类: 分析化学 - 对照品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 法莫替丁酸甲酯盐酸盐
• 中文别名: 法莫替丁EP杂质J
• 英文名称: methyl 3-((2-(diaminomethyleneamino)thiazol-4-yl)methylthio)propanoate
• 英文别名: Methyl 3-(((2-((diaminomethylidene)amino)thiazol-4-yl)methyl)sulfanyl)propanoate；methyl 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanoate
• CAS: 76824-14-1
• 化学式: C₉H₁₄N₄O₂S₂
• 分子量: 274.368
• InChiKey: LNBNICMKLBBRMB-UHFFFAOYSA-N

物化性质

• 熔点：
  119 - 124°C
• 沸点：
  436.2±55.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微）、甲醇（轻微、加热）

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  157
• 氢给体数：
  2
• 氢受体数：
  6

制备方法与用途

用途

法莫替丁EP杂质J是法莫替丁-13C3合成过程中的中间体，标记为法莫替丁。它是一种组胺H2受体拮抗剂，用于治疗胃溃疡等疾病。

反应信息

• 作为反应物：
  描述：

  法莫替丁酸甲酯盐酸盐 、 甲胺 以 甲醇 为溶剂， 反应 12.0h， 以80.6%的产率得到3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylpropanamide
  参考文献：
  名称：

  NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR

  摘要：

  公开号：

  EP3018125B1
• 作为产物：
  描述：

  甲醇 、 3-(2-胍基-噻唑-4-基甲硫)-丙腈 在 盐酸 作用下， 以 氯仿 、 水 为溶剂， 反应 23.0h， 以87.6%的产率得到法莫替丁酸甲酯盐酸盐
  参考文献：
  名称：

  NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR

  摘要：

  公开号：

  EP3018125B1

文献信息

• Guanidine compounds useful as histamine H2-antagonists
  申请人：ICI Americas Inc.

  公开号：US04696933A1

  公开（公告）日：1987-09-29

  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 cycloalkyl, 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.

  本发明涉及酰胺衍生物，其为组胺H-2受体拮抗剂并抑制胃酸分泌。根据本发明，提供了式I的胍衍生物：##STR1## 其中，R.sup.1是氢或1-10C烷基，3-8C环烷基，4-14C环烷基，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，其中芳基、芳基烷基和芳酰基基团可选地被取代；环X是如规范中定义的杂环；A是苯基或5-7C环烷基，或者是可选地插入一到两个基团的1-8C烷基；D是O或S；R.sup.2和R.sup.3是氢或规范中描述的多种基团；以及其药学上可接受的酸加合物盐。同时描述了制造工艺和制药组合物。
• 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。
• XIRATA, YASUBUMI;YANAGIDZAVA, ISAO;TAKEHDA, MASAAKI
  作者：XIRATA, YASUBUMI、YANAGIDZAVA, ISAO、TAKEHDA, MASAAKI

  DOI：——

  日期：——
• Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor
  申请人：SHIN NIPPON BIOMEDICAL LABORATORIES, LTD.

  公开号：US20160318886A1

  公开（公告）日：2016-11-03

  [Problem] The present invention addresses the problem of providing a novel compound. The present invention also addresses the problem of providing an OCT3 detection agent or an OCT3 activity inhibitor, which comprises the novel compound. [Solution] A compound represented by formula (A), a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate thereof. R 1 -R 2 -R 3 -R 4 (A)
• US4362736A
  申请人：——

  公开号：US4362736A

  公开（公告）日：1982-12-07