N-(2,4-dibromo-5-methoxyphenethyl)-N-(3-(dimethylamino)propyl)acetamide | 1580465-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(2,4-dibromo-5-methoxyphenethyl)-N-(3-(dimethylamino)propyl)acetamide
• 英文别名: N-[2-(2,4-dibromo-5-methoxyphenyl)ethyl]-N-[3-(dimethylamino)propyl]acetamide
• CAS: 1580465-86-6
• 化学式: C₁₆H₂₄Br₂N₂O₂
• 分子量: 436.187
• InChiKey: ULSUSQUIARCNON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N¹-(2,4-dibromo-5-methoxyphenethyl)-N³,N³-dimethylpropane-1,3-diamine 、 乙酰氯 在 sodium hydroxide 作用下， 以 氯仿 为溶剂， 反应 0.17h， 以35%的产率得到N-(2,4-dibromo-5-methoxyphenethyl)-N-(3-(dimethylamino)propyl)acetamide
  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

文献信息

• N1,N1-Dimethyl-N3-(3-(trifluoromethyl)phenethyl)propane-1,3-diamine, a new lead for the treatment of human African trypanosomiasis
  作者：Ngoc B. Pham、Sophie Deydier、Mehdi Labaied、Séverine Monnerat、Kenneth Stuart、Ronald J. Quinn

  DOI：10.1016/j.ejmech.2013.12.050

  日期：2014.3

  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