N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide | 1029434-65-8

• 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,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide
• 英文别名: tert-butyl (NE)-N-[(4-methylpiperazin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
• CAS: 1029434-65-8
• 化学式: C₁₆H₃₀N₄O₄
• 分子量: 342.439
• InChiKey: QFZGVGDIAZOZTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  83.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N'-bis(tert-butoxycarbonyl)-4-methyl-piperazine-1-carboximidamide 、 4-(N-叔丁氧羰基氨基)-1-丁醇 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96%的产率得到N-[4-(tert-butoxycarbonylamino)butyl]-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
• 作为产物：
  描述：

  N-甲基哌嗪 、 N,N'-bis-Boc-S-methyl-isothiourea 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以80%的产率得到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

文献信息

• ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS
  申请人：Swansea University

  公开号：US20170342025A1

  公开（公告）日：2017-11-30

  The invention discloses compounds of the formula wherein A, B, X, Y and Z are defined. The compounds of the invention show activity against a range of bacteria, and are useful in the treatment or prophylaxis of a bacterial infection in an animal.