N-(γ,γ-dimethylallyl)-N'-(5-aminopentyl)-guanidine methanesulfonate | 714248-61-0

• 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-(γ,γ-dimethylallyl)-N'-(5-aminopentyl)-guanidine methanesulfonate
• 英文别名: N-(Y,Y-dimethylallyl)-N'-(5-aminopentyl)guanidine methane sulphonate；1-(5-Aminopentyl)-2-(3-methylbut-2-enyl)guanidine;methanesulfonic acid
• CAS: 714248-61-0
• 化学式: CH₄O₃S*C₁₁H₂₄N₄
• 分子量: 308.445
• InChiKey: SYRRKTBPAOBNII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N'-bis(tert-butoxycarbonyl)-N-(γ,γ-dimethylallyl)-S-methylisothiourea 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 N-(γ,γ-dimethylallyl)-N'-(5-aminopentyl)-guanidine methanesulfonate
  参考文献：
  名称：

  Corelli, Federico; Federico, Rodolfo; Cona, Alessandra, Medicinal Chemistry Research, 2002, vol. 11, # 6, p. 309 - 321

  摘要：

  DOI：

文献信息

• Novel Substituted Aminoalkylguanidines as Potential Antihyperglycemic and Food Intake-Reducing Agents
  作者：Emanuela Tassoni、Fabio Giannessi、Tiziana Brunetti、Pompeo Pessotto、Michela Renzulli、Massimiliano Travagli、Suvi Rajamäki、Samanta Prati、Secondo Dottori、Federico Corelli、Walter Cabri、Paolo Carminati、Maurizio Botta

  DOI：10.1021/jm8001636

  日期：2008.6.1

  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.
• Corelli, Federico; Federico, Rodolfo; Cona, Alessandra, Medicinal Chemistry Research, 2002, vol. 11, # 6, p. 309 - 321
  作者：Corelli, Federico、Federico, Rodolfo、Cona, Alessandra、Venturini, Giorgio、Schenone, Silvia、Botta, Maurizio

  DOI：——

  日期：——