N-<3-(1H-imidazol-4-yl)propyl>-N'-<2-<<(5-methyl-1H-imidazol-4-yl)methyl>thio>ethyl>-S-methylisothiourea trihydroiodide | 97043-48-6

• 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-<3-(1H-imidazol-4-yl)propyl>-N'-<2-<<(5-methyl-1H-imidazol-4-yl)methyl>thio>ethyl>-S-methylisothiourea trihydroiodide
• CAS: 97043-48-6
• 化学式: C₁₅H₂₄N₆S₂*3HI
• 分子量: 736.265
• InChiKey: HMKYMLGUOVKSBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  81.75
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-<3-(1H-imidazol-4-yl)propyl>-N'-<2-<<(5-methyl-1H-imidazol-4-yl)methyl>thio>ethyl>-S-methylisothiourea trihydroiodide 、 甲胺 以 乙醇 为溶剂， 生成 N-<3-(1H-imidazol-4-yl)propyl>-N'-<2-<<(5-methyl-1H-imidazol-4-yl)methyl>thio>ethyl>-N"-methylguanidine
  参考文献：
  名称：

  The histamine H2-receptor agonist impromidine: synthesis and structure activity considerations

  摘要：

  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.

  DOI：

  10.1021/jm00148a007