N¹,N⁹-di(3-(di-((4,6-diamino-1,3,5-triazin-2-yl)methyl)amino)propyl)-1,9-nonanediamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N¹,N⁹-di(3-(di-((4,6-diamino-1,3,5-triazin-2-yl)methyl)amino)propyl)-1,9-nonanediamine
• 英文别名: N1,N9-Di(3-(di((4,6-diamino-1,3,5-triazin-2-yl)methyl)amino)propyl)-1,9nonanediamine Heptachloride；6-[[3-[9-[3-[bis[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]propylamino]nonylamino]propyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
• 化学式: C₃₁H₅₆N₂₄
• 分子量: 764.946
• InChiKey: AEKPXOHWOUMIOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  55
• 可旋转键数：
  26
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  393
• 氢给体数：
  10
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  3-(9-[(2-cyanoethyl)amino]nonylamino)propanenitrile 在 Ra-Ni lithium hydroxide 、 氢气 、 碳酸氢钠 、 苯甲醚 、 三乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 为溶剂， 反应 47.0h， 生成 N¹,N⁹-di(3-(di-((4,6-diamino-1,3,5-triazin-2-yl)methyl)amino)propyl)-1,9-nonanediamine
  参考文献：
  名称：

  Synthesis and Biological Evaluation of s-Triazine Substituted Polyamines as Potential New Anti-Trypanosomal Drugs

  摘要：

  The P2 transporter is a nucleoside transporter which is unique to the protozoan parasite Trypanosoma brucei, the causative organism of Human African Trypanosomasis. The transporter has been shown to bind some structural motifs not recognized by other transporters. In this paper we describe the use of the melamine motif, a substrate of the P2 transporter, as a potential tool to selectively deliver polyamine analogues to the parasites. The synthesis of a number of polyamine analogues attached to a variety of melamine analogues is described. Many of the compounds were shown to competitively inhibit uptake of adenosine, indicating that they are recognized by the transporter. Some of the compounds showed good in vitro activity against the parasites.

  DOI：

  10.1021/jm010854+