1,1'-<1,4-piperazinediylbis<(3,3-dimethyl-4,1-butanediyl)-4,1-phenylene>>bis<1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine> tetrahydrochloride | 96615-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1'-<1,4-piperazinediylbis<(3,3-dimethyl-4,1-butanediyl)-4,1-phenylene>>bis<1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine> tetrahydrochloride
• 英文别名: 1,1'-{1,4-piperazinediylbis[(3,3-dimethyl-4,1-butanediyl)-4,1-phenylene]}bis(1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine) tetrahydrochloride
• CAS: 96615-70-2
• 化学式: C₃₈H₆₀N₁₂*4ClH
• 分子量: 830.819
• InChiKey: PIZAFKUHBGHFCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  51.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  166.48
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  二聚氰胺 、 丙酮 、 4,4'-<1,4-piperazinediylbis(3,3-dimethyl-4,1-butanediyl)>bis tetrahydrochloride 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 96.0h， 以38%的产率得到1,1'-<1,4-piperazinediylbis<(3,3-dimethyl-4,1-butanediyl)-4,1-phenylene>>bis<1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine> tetrahydrochloride
  参考文献：
  名称：

  Novel bis[1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] as antitrypanosomal agents

  摘要：

  A series of novel 1,1'-(4,1-phenylene)bis [1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamines] was prepared and evaluated for activity against Trypanosoma rhodesiense in mice. The importance of the bis structure and the nature of the spacer between the two phenyl rings for optimal activity have been revealed. The potent parenteral activity of several analogues within this series as well as preliminary indication of oral activity lends encouragement to further development of this structural class.

  DOI：

  10.1021/jm00149a032