N-(cyclopropylmethyl)-N'-(6-hydroxyhexyl)-guanidine methanesulfonate | 1029434-47-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-(cyclopropylmethyl)-N'-(6-hydroxyhexyl)-guanidine methanesulfonate
• 英文别名: 2-(Cyclopropylmethyl)-1-(6-hydroxyhexyl)guanidine;methanesulfonic acid
• CAS: 1029434-47-6
• 化学式: CH₄O₃S*C₁₁H₂₃N₃O
• 分子量: 309.43
• InChiKey: UKOSWPGOZPQXOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲烷磺酸 、 N-(cyclopropylmethyl)-N,N'-bis-(tert-butoxycarbonyl)-N''-(6-hydroxyhexyl)-guanidine 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 N-(cyclopropylmethyl)-N'-(6-hydroxyhexyl)-guanidine methanesulfonate
  参考文献：
  名称：

  Novel Substituted Aminoalkylguanidines as Potential Antihyperglycemic and Food Intake-Reducing Agents

  摘要：

  We report the synthesis and evaluation of aminoalkylguanidine analogues and derivatives in C57BL/KsJ db/db diabetic mice, following identification by random screening of 1a and 1b as potential antihyperglycemics and/or modulators of food intake. These compounds are related to galegine, a gamma,gamma-dimethylallylguanidine. Between the newly identified compounds, 1h N-(cyclopropylmethyl)-N'-(4-(aminomethyl)cyclohexylmethyl)guanidine showed the most balanced activity as antihyperglycemic and food intake-reducing agent.

  DOI：

  10.1021/jm8001636