N¹,N¹-dimethyl-N³-(2,4,6-tribromo-3-hydroxybenzyl)propane-1,3-diamine | 1580465-74-2

• 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: N¹,N¹-dimethyl-N³-(2,4,6-tribromo-3-hydroxybenzyl)propane-1,3-diamine
• 英文别名: 2,4,6-Tribromo-3-[[3-(dimethylamino)propylamino]methyl]phenol；2,4,6-tribromo-3-[[3-(dimethylamino)propylamino]methyl]phenol
• CAS: 1580465-74-2
• 化学式: C₁₂H₁₇Br₃N₂O
• 分子量: 444.992
• InChiKey: ZFINRDJUKSUETH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  间羟基苯甲醛 在 溴 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 生成 N¹,N¹-dimethyl-N³-(2,4,6-tribromo-3-hydroxybenzyl)propane-1,3-diamine
  参考文献：
  名称：

  N1,N1-Dimethyl-N3-(3-(trifluoromethyl)phenethyl)propane-1,3-diamine, a new lead for the treatment of human African trypanosomiasis

  摘要：

  The natural product, convolutamine I (1), has anti-trypanosomal activity however it has a high molecular weight of 473 due to a presence of 3 bromine atoms. The synthesis of the natural product convolutamine I (1) together with its analogues are presented. A SAR study against Trypanosoma brucei brucei led to compounds with improved physico-chemical properties: lower molecular weight and lower log P while maintaining potency (with a slight 2-fold improvement). (C) 2014 The Authors. Published by Elsevier Masson SAS. All rights

  DOI：

  10.1016/j.ejmech.2013.12.050