N-benzoyl-N'-[2-(2-thiazolylmethylthio)ethyl]-S-methyl isothiourea | 63169-79-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-benzoyl-N'-[2-(2-thiazolylmethylthio)ethyl]-S-methyl isothiourea
• 英文别名: N-benzoyl-N'-[2-(2-thiazolylmethylthio)ethyl]-S-methylisothiourea
• CAS: 63169-79-9
• 化学式: C₁₅H₁₇N₃OS₃
• 分子量: 351.5
• InChiKey: WUAMUSGSSLYOMZ-UHFFFAOYSA-N

物化性质

• 熔点：
  64-65 °C(Solv: ethyl ether (60-29-7))
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-benzoyl-N'-[2-(2-thiazolylmethylthio)ethyl]-S-methyl isothiourea 、 3-(1H-咪唑-4-基)-丙胺 以 吡啶 为溶剂， 生成 N-benzoyl-N'-[3-(4-imidazolyl)-propyl]-N"-[2-(2-thiazolylmethylthio)ethyl]guanidine
  参考文献：
  名称：

  Certain N,N'-disubstituted guanidine compounds and their use

  摘要：

  这是一种选择性组胺H.sub.2-受体激动剂，化学名称为N-(4-咪唑基)丙基-N'-杂环甲基硫乙基胍。

  公开号：

  US04013659A1

文献信息

• 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：——
• US4013659A
  申请人：——

  公开号：US4013659A

  公开（公告）日：1977-03-22
• Certain N,N'-disubstituted guanidine compounds and their use
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04013659A1

  公开（公告）日：1977-03-22

  N-(4-Imidazolyl)propyl-N'-heterocyclomethylthioethyl guanidines which are selective histamine H.sub.2 -receptor agonists.

  这是一种选择性组胺H.sub.2-受体激动剂，化学名称为N-(4-咪唑基)丙基-N'-杂环甲基硫乙基胍。