N-[4-(tert-butoxycarbonylamino)hexyl]-N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide | 1029434-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[4-(tert-butoxycarbonylamino)hexyl]-N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide
• CAS: 1029434-69-2
• 化学式: C₂₇H₅₁N₅O₆
• 分子量: 541.732
• InChiKey: NMZNPILQCQHOIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  113.01
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[4-(tert-butoxycarbonylamino)hexyl]-N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 N-(γ,γ-dimethylallyl)-N'-(2-aminoethyl)-guanidine bis(trifluoroacetate)
  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
• 作为产物：
  描述：

  N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide 、 N-(6-羟基己基)氨基甲酸叔丁酯 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以99%的产率得到N-[4-(tert-butoxycarbonylamino)hexyl]-N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide
  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