5-methyl-4-<<(2-chloroethyl)thio>methyl>imidazole hydrochloride | 60588-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-4-<<(2-chloroethyl)thio>methyl>imidazole hydrochloride
• 英文别名: 1-chloro-2-(5-methyl-4-imidazolylmethylthio)ethane hydrochloride；1-Chloro-2(5-methyl-4-imidazolylmethylthio)ethane hydrochloride；4-(2-chloroethylsulfanylmethyl)-5-methyl-1H-imidazole;hydrochloride
• CAS: 60588-77-4
• 化学式: C₇H₁₁ClN₂S*ClH
• 分子量: 227.158
• InChiKey: BBJUWMZDVXICKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-methyl-4-<<(2-chloroethyl)thio>methyl>imidazole hydrochloride 以 乙醇 、 水 为溶剂， 生成 2-(5-methyl-4-imidazolylmethylthio)ethyl thiocyanate
  参考文献：
  名称：

  Imidazolylmethylthioethyl dithiocarbamate compounds

  摘要：

  这些化合物是二硫代氨基甲酸盐和异硫脲，它们是组胺H.sub.2-拮抗剂。本发明的两种化合物是2-(5-甲基-4-咪唑甲基硫基)乙基N-甲基二硫代氨基甲酸盐和S-[2-(5-甲基-4-咪唑甲基硫基)乙基]-N-氰基-N'-甲基异硫脲。

  公开号：

  US04056621A1
• 作为产物：
  描述：

  2-(5-methyl-4-imidazolylmethylthio)ethanol 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 5-methyl-4-<<(2-chloroethyl)thio>methyl>imidazole hydrochloride
  参考文献：
  名称：

  Imidazolylmethylthioethyl dithiocarbamate compounds

  摘要：

  这些化合物是二硫代氨基甲酸盐和异硫脲，它们是组胺H.sub.2-拮抗剂。本发明的两种化合物是2-(5-甲基-4-咪唑甲基硫基)乙基N-甲基二硫代氨基甲酸盐和S-[2-(5-甲基-4-咪唑甲基硫基)乙基]-N-氰基-N'-甲基异硫脲。

  公开号：

  US04056621A1

文献信息

• Thiourea compounds, compositions and methods and use
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04173644A1

  公开（公告）日：1979-11-06

  The compounds are dithiocarbamates and isothioureas which are histamine H.sub.2 -antagonists. Two compounds of the invention are 2-(5-methyl-4-imidazolylmethylthio)ethyl N-methyldithiocarbamate and S-[2-(5-methyl-4-imidazolyl-methylthio)ethyl]-N-cyano-N'-methylisothiourea .

  这些化合物是二硫代氨基甲酸盐和异硫脲，它们是组胺H.sub.2-拮抗剂。本发明中的两种化合物是 2-(5-甲基-4-咪唑甲基硫基)乙基N-甲基二硫代氨基甲酸盐和S-[2-(5-甲基-4-咪唑甲基硫基)乙基]-N-氰基-N'-甲基异硫脲。
• Heterocyclic-methylthioethyl-dithiocarbamates and isothioureas
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04120966A1

  公开（公告）日：1978-10-17

  The compounds are dithiocarbamates and isothioureas which are histamine H.sub.2 -anatagonists. Two compounds of the invention are 2-(5-methyl-4-imidazolylmethylthio)ethyl N-methyldithiocarbamate and S-[2-(5-methyl-4-imidazolyl-methylthio)ethyl]-N-cyano-N'-methylisothiourea .

  这些化合物是二硫代氨基甲酸盐和异硫脲，它们是组胺H.sub.2受体拮抗剂。该发明的两种化合物是2-(5-甲基-4-咪唑甲基硫基)乙基N-甲基二硫代氨基甲酸盐和S-[2-(5-甲基-4-咪唑甲基硫基)乙基]-N-氰基-N'-甲基异硫脲。
• Imidazolylmethylthio-ethyl isothiourea compounds
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04120972A1

  公开（公告）日：1978-10-17

  The compounds are dithiocarbamates and isothioureas which are histamine H.sub.2 -antagonists. Two compounds of the invention are 2-(5-methyl-4-imidazolylmethylthio)ethyl N-methyldithiocarbamate and S-[2-(5-methyl-4-imidazolylmethylthio)ethyl]-N-cyano-N'-methylisothiourea.

  这些化合物是二硫代氨基甲酸盐和异硫脲，它们是组胺H.sub.2-拮抗剂。本发明的两种化合物是2-(5-甲基-4-咪唑甲基硫基)乙基N-甲基二硫代氨基甲酸盐和S-[2-(5-甲基-4-咪唑甲基硫基)乙基]-N-氰-N'-甲基异硫脲。
• The histamine H2-receptor agonist impromidine: synthesis and structure activity considerations
  作者：G. J. Durant、C. R. Ganellin、D. W. Hills、P. D. Miles、M. E. Parsons、E. S. Pepper、G. R. White

  DOI：10.1021/jm00148a007

  日期：1985.10

  Impromidine (1) is a potent and selective histamine H2 receptor agonist and its structure comprises a strongly basic guanidine group containing two different imidazole-containing side chains. In this paper we report the synthesis of analogues in which both of the side chains and the guanidine group are modified and tested as agonists or antagonists at histamine H2 receptors on guinea pig atrium. A protonated amidine group linked by a chain of three carbon atoms to a tautomeric imidazole ring appears to be an essential feature for agonist activity and it is suggested that the second imidazole-containing side chain in impromidine mainly contributes toward affinity for histamine H2 receptors.
• DURANT, G. J.;GANELLIN, C. R.;HILLS, D. W.;MILES, P. D.;PARSONS, M. E.;PE+, J. MED. CHEM., 1985, 28, N 10, 1414-1422
  作者：DURANT, G. J.、GANELLIN, C. R.、HILLS, D. W.、MILES, P. D.、PARSONS, M. E.、PE+

  DOI：——

  日期：——