N,N'-Bis-(2-<(5-methyl-4-imidazolyl)methylthio>-ethyl)-N''-methylguanidin | 57785-62-3

• 英文名称: N,N'-Bis-(2-<(5-methyl-4-imidazolyl)methylthio>-ethyl)-N''-methylguanidin
• 英文别名: N-methyl-N',N''-bis-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine；N,N'-bis-[2-((5-Methyl-4-imidazolyl)methylthio)ethyl]-N"-methylguanidine；2-methyl-1,3-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
• CAS: 57785-62-3
• 化学式: C₁₆H₂₇N₇S₂
• 分子量: 381.569
• InChiKey: CIGPGCNMPFKLRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  25
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N'-bis-[2-((5-methyl-4-imidazolyl)-methylthio)ethyl]-N"-butylguanidine 、 正丁胺 、 甲胺 以 乙醇 为溶剂， 生成 N,N'-Bis-(2-<(5-methyl-4-imidazolyl)methylthio>-ethyl)-N''-methylguanidin
  参考文献：
  名称：

  Heterocyclic-methylthioalkyl-guanidines

  摘要：

  这些化合物是烷基胍基的N-(杂环甲基硫代烷基)衍生物、C-烷基和C-芳基酰胺和S-烷基异硫脲。这些化合物也可能具有N'-低烷基或N'-(杂环甲基硫代烷基)取代基。该发明的三种化合物是S-甲基-N-[2-(5-甲基-4-咪唑甲基硫基)乙基]异硫脲、N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]乙酰胺和N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]N''-甲基胍。该发明的化合物是组胺H.sub.2 -拮抗剂。

  公开号：

  US04170652A1

文献信息

• Isothiourea compounds and pharmacological use
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04191769A1

  公开（公告）日：1980-03-04

  The compounds are N-(heterocyclomethylthioalkyl) derivatives of alkylguanidines, C-alkyl and C-aryl amidines and S-alkylisothioureas. The compounds may also have N'-lower alkyl or N'(heterocyclomethylthioalkyl) substituents. Three compounds of the invention are S-methyl-N-[2-(5-methyl-4-imidazolylmethylthio)ethyl]isothiourea, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]acetamidine, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]N"-methylguanidine. The compounds of this invention are histamine H.sub.2 -antagonists.

  这些化合物是烷基胍基衍生物的N-(杂环甲基硫代烷基)衍生物，C-烷基和C-芳基酰胺基和S-烷基异硫脲。这些化合物还可能具有N'-低烷基或N'(杂环甲基硫代烷基)取代基。该发明的三种化合物是S-甲基-N-[2-(5-甲基-4-咪唑甲基硫基)乙基]异硫脲、N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]乙酰胺基和N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]N''-甲基胍。该发明的这些化合物是组胺H.sub.2 -拮抗剂。
• Certain heterocyclic-methylthioalkyl guanidine derivatives
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04282234A1

  公开（公告）日：1981-08-04

  The compounds are N-(heterocyclomethylthioalkyl)derivatives of alkylguanidines, C-alkyl and C-aryl amidines and S-alkylisothioureas. The compounds may also have N'-lower alkyl or N'-(heterocyclomethylthioalkyl)substituents. Three compounds of the invention are S-methyl-N-[2-(5-methyl-4-imidazolylmethylthio)ethyl]isothiourea, N,N'-bis-[2-(5-methyl-4-imidazolymethylthio)ethyl]acetamidine, N,N'-bis-[2-(5-methyl-4-imidazolymethylthio)ethyl]N"-methylguanidine. The compounds of this invention are histamine H.sub.2 -antagonists.

  这些化合物是烷基胍基的N-(杂环甲基硫基烷基)衍生物、C-烷基和C-芳基酰胺基和S-烷基异硫脲。这些化合物也可能具有N'-较低烷基或N'-(杂环甲基硫基烷基)取代基。本发明的三种化合物为S-甲基-N-[2-(5-甲基-4-咪唑甲基硫基)乙基]异硫脲、N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]乙酰胺基和N,N'-双-[2-(5-甲基-4-咪唑甲基硫基)乙基]N''-甲基胍。本发明的化合物是组胺H.sub.2 受体拮抗剂。
• Pharmacologically active compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04109003A1

  公开（公告）日：1978-08-22

  The compounds are N-(heterocyclomethylthioalkyl)derivatives of alkylguanidines, C-alkyl and C-aryl amidines and S-alkylisothioureas. The compounds may also have N'-lower alkyl or N'-(heterocyclomethylthioalkyl)substituents. Three compounds of the invention are S-methyl-N-[2-(5-methyl-4-imidazolylmethylthio)ethyl]isothiourea, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]acetamidine, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]N"-methylguanidine. The compounds of this invention are histamine H.sub.2 -antagonists.

  这些化合物是烷基鸟氨酸的N-(杂环甲基硫代烷基)衍生物、C-烷基和C-芳基酰胺以及S-烷基异硫脲。这些化合物也可能具有N'-低烷基或N'-(杂环甲基硫代烷基)取代基。本发明的三种化合物是S-甲基-N-[2-(5-甲基-4-咪唑甲基硫)乙基]异硫脲、N,N'-双-[2-(5-甲基-4-咪唑甲基硫)乙基]乙酰胺和N,N'-双-[2-(5-甲基-4-咪唑甲基硫)乙基]N''-甲基鸟氨酸。本发明的化合物是组胺H.sub.2 -拮抗剂。
• Heterocyclic-methylthioalkyl-amidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04118496A1

  公开（公告）日：1978-10-03

  The compounds are N-(heterocyclomethylthioalkyl)derivatives of alkylguanidines, C-alkyl and C-aryl amidines and S-alkyl-isothioureas. The compounds may also have N'-lower alkyl or N'-(heterocyclomethylthioalkyl)substituents. Three compounds of the invention are S-methyl-N-[2-(5-methyl-4-imidazolyl-methylthio)ethyl]isothiourea, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]acetamidine, N,N'-bis-[2-(5-methyl-4-imidazolylmethylthio)ethyl]N"-methylguanidine. The compounds of this invention are histamine H.sub.2 -antagonists.

  这些化合物是烷基胍基的N-(杂环甲基硫代烷基)衍生物，C-烷基和C-芳基酰胺和S-烷基异硫脲。这些化合物还可以具有N'-较低烷基或N'-(杂环甲基硫代烷基)取代基。本发明的三种化合物为S-甲基-N-[2-(5-甲基-4-咪唑甲基硫基)乙基]异硫脲，N,N'-双[2-(5-甲基-4-咪唑甲基硫基)乙基]乙酰胺和N,N'-双[2-(5-甲基-4-咪唑甲基硫基)乙基]N"-甲基胍。本发明的化合物是组胺H.sub.2 -拮抗剂。
• US4036971A
  申请人：——

  公开号：US4036971A

  公开（公告）日：1977-07-19