N-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N,N'-dimethyl-N'-(3-phenyl-propyl)-ethane-1,2-diamine

• 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: N-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N,N'-dimethyl-N'-(3-phenyl-propyl)-ethane-1,2-diamine
• 英文别名: N'-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N,N'-dimethyl-N-(3-phenylpropyl)ethane-1,2-diamine
• 化学式: C₂₈H₃₄F₂N₂O
• 分子量: 452.588
• InChiKey: DXNDRYLYGFMZSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N'-(3-phenyl-propyl)-ethane-1,2-diamine; hydrochloride 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以25%的产率得到N-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-N,N'-dimethyl-N'-(3-phenyl-propyl)-ethane-1,2-diamine
  参考文献：
  名称：

  Synthesis and evaluation of novel-N-[2-(bis-aryl-methoxy)ethyl-N′-aralkyl-α,ω-alkanediamines as potent and selective dopamine reuptake inhibitors: Seco analogs of GBR12935 and GBR12909

  摘要：

  A series of analogs of the N-L[2-bis arylmethoxy]-N'-phenylpropyl-piperazines GBR12909 and 12935 was synthesized and evaluated as inhibitors of synaptic monoamine transporters. The data indicated that all of the new compounds demonstrated a selectivity for the dopamine transporter compared to the other monoamine transporters with IC50 values approaching 10 nM. The results suggest that the internal piperazine moiety is not required for activity and may be replaced with a more flexible diamine unit. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10053-1