N,N'-bis[3-(methylamino)-2-(methyl)propyl]-1,7-diaminoheptane | 135615-18-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis[3-(methylamino)-2-(methyl)propyl]-1,7-diaminoheptane
• 英文别名: N,N'-bis[2-methyl-3-(methylamino)propyl]heptane-1,7-diamine
• CAS: 135615-18-8
• 化学式: C₁₇H₄₀N₄
• 分子量: 300.531
• InChiKey: URYNURIXLTWTKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  {3-[tert-Butoxycarbonyl-(7-{tert-butoxycarbonyl-[3-(tert-butoxycarbonyl-methyl-amino)-2-methyl-propyl]-amino}-heptyl)-amino]-2-methyl-propyl}-methyl-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 N,N'-bis[3-(methylamino)-2-(methyl)propyl]-1,7-diaminoheptane
  参考文献：
  名称：

  Synthesis and DNA-binding properties of polyamine analogs

  摘要：

  The synthesis of a series of novel polyamine analogues is reported. The DNA binding of these compounds and a variety of other polyamines were compared with their IC50 values against HeLa cell. There seemed to be no apparent correlation between the DNA binding and toxicity against HeLa cells.

  DOI：

  10.1021/jm00112a016

文献信息

• Potentiating cell-mediated immunity utilizing polyamine derivatives
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0399519B1

  公开（公告）日：1996-08-07
• US5109024A
  申请人：——

  公开号：US5109024A

  公开（公告）日：1992-04-28
• Synthesis and DNA-binding properties of polyamine analogs
  作者：Michael L. Edwards、Ronald D. Snyder、David M. Stemerick

  DOI：10.1021/jm00112a016

  日期：1991.8

  The synthesis of a series of novel polyamine analogues is reported. The DNA binding of these compounds and a variety of other polyamines were compared with their IC50 values against HeLa cell. There seemed to be no apparent correlation between the DNA binding and toxicity against HeLa cells.