N,N'-bis-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea | 55272-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N,N'-bis-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea
• 英文别名: 1,3-bis-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-thiourea；N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea；N,N'-bis-(2-<(4-methyl-5-imidazolyl)-methylthio>-ethyl)-thioharnstoff；1,3-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea
• CAS: 55272-84-9
• 化学式: C₁₅H₂₄N₆S₃
• 分子量: 384.594
• InChiKey: URZFVRZJQHCTGN-UHFFFAOYSA-N

物化性质

• 熔点：
  130-132 °C
• 沸点：
  704.3±70.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-bis-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea 生成 S-methyl-N,N'-bis-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]isothiourea trihydrochloride
  参考文献：
  名称：

  N-Oxy and N-amino guanidines

  摘要：

  这些化合物是组氨酸H.sub.2 -拮抗剂的N-羟基和N-氨基胍类化合物。该发明的一种化合物是N-羟基-N'methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]guanidi ne。

  公开号：

  US04034101A1
• 作为产物：
  描述：

  二硫化碳 、 2-(((5-甲基-1H-咪唑-4-基)甲基)硫代)乙胺 以 乙醇 为溶剂， 生成 N,N'-bis-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea
  参考文献：
  名称：

  N-Oxy and N-amino guanidines

  摘要：

  这些化合物是组氨酸H.sub.2 -拮抗剂的N-羟基和N-氨基胍类化合物。该发明的一种化合物是N-羟基-N'methyl-N"-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]guanidi ne。

  公开号：

  US04034101A1

文献信息

• Certain thiazoles and oxazoles
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04025527A1

  公开（公告）日：1977-05-24

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. Two compounds of this invention are N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]thiourea and N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-cyanoguanidine.

  这些化合物是N,N'-取代硫脲、尿素和胍胺，它们是H-2组胺受体抑制剂。本发明的两种化合物是N,N'-双[2-((4-甲基-5-咪唑基)甲硫基)乙基]硫脲和N,N'-双[2-((4-甲基-5-咪唑基)甲硫基)乙基]-N"-氰基胍胺。
• Imidazolyl thioureas, ureas and guanidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04152443A1

  公开（公告）日：1979-05-01

  The compounds are N,N' -substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. Two compounds of this invention are N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl] thiourea and N,N'-bis[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-cyanoguanidine.

  这些化合物是N，N'-取代硫脲，脲和鸟氨酸，它们是H-2组胺受体抑制剂。本发明的两种化合物是N，N'-双[2-（（4-甲基-5-咪唑基）甲基硫基）乙基]硫脲和N，N'-双[2-（（4-甲基-5-咪唑基）甲基硫基）乙基]-N''-氰基鸟氨酸。
• N-Heterocyclic alkyl-N'-thiadiazolyl, thiazolyl and isothiazolyl
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04388319A1

  公开（公告）日：1983-06-14

  The compounds are N,N'-substituted thioureas, ureas and guanidines which are H-2 histamine receptor inhibitors. A compound of this invention is N-cyano-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]-N"-[2-(2-thiazolyl methylthio)ethyl]guanidine.

  这些化合物是N,N'-取代硫脲、脲和鸟氨酸类物质，它们是H-2组胺受体抑制剂。该发明的一种化合物是N-氰基-N'-[2-((4-甲基-5-咪唑基)甲硫基)乙基]-N"-[2-(2-噻唑甲硫基)乙基]鸟氨酸。
• Heterocyclic-methylthioalkyl-guanidines
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04170652A1

  公开（公告）日：1979-10-09

  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。
• 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。