N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]urea | 38603-64-4

• 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-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]urea
• 英文别名: 1-methyl-3-[2-(5-methyl-1(3)H-imidazol-4-ylmethylsulfanyl)-ethyl]-urea；N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)ethyl]urea；1-ME-3(2(5ME Imidazol4YL)meset urea；1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]urea
• CAS: 38603-64-4
• 化学式: C₉H₁₆N₄OS
• 分子量: 228.318
• InChiKey: FNNGFNABSUBQOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  560.9±45.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  95.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸甲酯 、 2-(((5-甲基-1H-咪唑-4-基)甲基)硫代)乙胺 在 Acetonitrile 2-propanol 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以to give N-methyl-N'-[2-((4-methyl-5-imidazolyl) methylthio)ethyl]urea (4.0 g.) m.p. 158°-159°的产率得到N-methyl-N'-[2-((4-methyl-5-imidazolyl)methylthio)-ethyl]urea
  参考文献：
  名称：

  Pharmacologically active thiourea and urea compounds

  摘要：

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基硫脲和脲，它们是组胺活性的抑制剂。

  公开号：

  US04053473A1

文献信息

• Pharmaceutical compositions and methods of inhibiting H-1 and H-2
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04000302A1

  公开（公告）日：1976-12-28

  Pharmaceutical compositions and methods of inhibiting H-1 and H-2 histamine receptors by administering an antihistamine and an H-2 histamine receptor inhibitor. Exemplary of the antihistamine in the compositions and methods of this invention is mepyramine and exemplary of the H-2 histamine receptor inhibitor is N-cyano-N'-methyl-N"-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidin e.

  药物组合物和通过给予抗组胺药和H-2组胺受体抑制剂来抑制H-1和H-2组胺受体的方法。该发明的药物组合物和方法中的抗组胺药的示例是美匹拉明，H-2组胺受体抑制剂的示例是N-氰基-N'-甲基-N"-[2-((4-甲基-5-咪唑基)-甲硫基)乙基]胍。
• Pharmaceutical compositions and method of inhibiting H-1 and H-2
  申请人：Smith Kline & French Laboratories Limited

  公开号：US03954982A1

  公开（公告）日：1976-05-04

  Pharmaceutical compositions and methods of inhibiting H-1 and H-2 histamine receptors by administering an antihistamine and an H-2 histamine receptor inhibitor. Exemplary of the antihistamine in the compositions and methods of this invention is mepyramine and exemplary of the H-2 histamine receptor inhibitor is N-methyl-N'-[4-(5)-imidazolyl)butyl]thiourea.

  药物组合物及抑制H-1和H-2组胺受体的方法，通过给予抗组胺药和H-2组胺受体抑制剂。本发明的药物组合物和方法中的抗组胺药举例为美比那明，H-2组胺受体抑制剂的举例为N-甲基-N'-[4-(5-咪唑基)丁基]硫脲。
• Pharmacologically active thiourea and urea compositions and methods of
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04226874A1

  公开（公告）日：1980-10-07

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基、氨基烷基和氧烷基硫脲和脲，它们是组织胺活性的抑制剂。
• Pharmacologically active triazole and thiadiazole thiourea and urea
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04230865A1

  公开（公告）日：1980-10-28

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基，氨基烷基和氧代烷基硫脲和脲，它们是组胺活性的抑制剂。
• Pharmacologically active thiourea and urea compounds as inhibitors of
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04069327A1

  公开（公告）日：1978-01-17

  The compounds are substituted thioalkyl-, aminoalkyl- and oxyalkyl-thioureas and ureas which are inhibitors of histamine activity.

  这些化合物是取代的硫代烷基，氨基烷基和氧烷基硫脲和脲，它们是组胺活性的抑制剂。