N-[3-(3,5-difluorophenoxy)propyl]-N-methyl-2-propagylamine | 1386948-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[3-(3,5-difluorophenoxy)propyl]-N-methyl-2-propagylamine
• 英文别名: 3-(3,5-difluorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
• CAS: 1386948-45-3
• 化学式: C₁₃H₁₅F₂NO
• 分子量: 239.265
• InChiKey: NVINZYNBVGUXDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-甲基炔丙基胺 、 3,5-二氟苯酚 、 1,3-二溴丙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 N-[3-(3,5-difluorophenoxy)propyl]-N-methyl-2-propagylamine
  参考文献：
  名称：

  ¹H NMR Probe for in Situ Monitoring of Dopamine Metabolism and Its Application to Inhibitor Screening

  摘要：

  Dopamine (DA) is a monoamine neurotransmitter that plays important roles in the brain, and whose levels in the brain are associated with several neurological and psychiatric disorders. Therefore, DA metabolism inhibitors have been used as therapeutic agents. Here, we report a H-1 NMR probe for the in situ analysis of DA metabolism, and its application to DA inhibitor screening. We designed doubly C-13-labeled DA (C-13(2)-DA) as the probe. The combination of the C-13(2)-DA and H-1-{C-13-C-13'} NMR technique allowed the selective and thus in situ monitoring of DA metabolism. Using C-13(2)-DA, we successfully measured the efficacies of different inhibitors in a tissue sample, allowing us to improve the in situ inhibitory efficacy of the known DA metabolism inhibitor, clorgyline.

  DOI：

  10.1021/ja305051u

文献信息

• ¹H NMR Probe for in Situ Monitoring of Dopamine Metabolism and Its Application to Inhibitor Screening
  作者：Ryosuke Ueki、Koya Yamaguchi、Hiroshi Nonaka、Shinsuke Sando

  DOI：10.1021/ja305051u

  日期：2012.8.1

  Dopamine (DA) is a monoamine neurotransmitter that plays important roles in the brain, and whose levels in the brain are associated with several neurological and psychiatric disorders. Therefore, DA metabolism inhibitors have been used as therapeutic agents. Here, we report a H-1 NMR probe for the in situ analysis of DA metabolism, and its application to DA inhibitor screening. We designed doubly C-13-labeled DA (C-13(2)-DA) as the probe. The combination of the C-13(2)-DA and H-1-C-13-C-13'} NMR technique allowed the selective and thus in situ monitoring of DA metabolism. Using C-13(2)-DA, we successfully measured the efficacies of different inhibitors in a tissue sample, allowing us to improve the in situ inhibitory efficacy of the known DA metabolism inhibitor, clorgyline.