5-(3,4-Difluorophenoxy)pentanenitrile | 1250563-08-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(3,4-Difluorophenoxy)pentanenitrile
• CAS: 1250563-08-6
• 化学式: C₁₁H₁₁F₂NO
• mdl: MFCD14645597
• 分子量: 211.211
• InChiKey: AXOXHTQSMZYQMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(3,4-Difluorophenoxy)pentanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 生成 4-[(5-Aminopentyl)oxy]-1,2-difluorobenzene
  参考文献：
  名称：

  A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice

  摘要：

  By screening directed libraries of serine hydrolase inhibitors using the cell surface form of endothelial lipase (EL), we identified a series of carbamate-derived (EL) inhibitors. Compound 3 raised plasma HDL-C levels in the mouse, and a correlation was found between HDL-C and plasma compound levels. Spectroscopic and kinetic studies support a covalent mechanism of inhibition. Our findings represent the first report of EL inhibition as an effective means for increasing HDL-C in an in vivo model. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.113
• 作为产物：
  描述：

  3,4-二氟苯酚 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 21.5h， 生成 5-(3,4-Difluorophenoxy)pentanenitrile
  参考文献：
  名称：

  A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice

  摘要：

  By screening directed libraries of serine hydrolase inhibitors using the cell surface form of endothelial lipase (EL), we identified a series of carbamate-derived (EL) inhibitors. Compound 3 raised plasma HDL-C levels in the mouse, and a correlation was found between HDL-C and plasma compound levels. Spectroscopic and kinetic studies support a covalent mechanism of inhibition. Our findings represent the first report of EL inhibition as an effective means for increasing HDL-C in an in vivo model. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.113

文献信息

• A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice
  作者：M.N. Greco、M.A. Connelly、G.C. Leo、M.W. Olson、E. Powell、Z. Huang、M. Hawkins、C. Smith、C. Schalk-Hihi、A.L. Darrow、H. Xin、W. Lang、B.P. Damiano、D.J. Hlasta

  DOI：10.1016/j.bmcl.2013.02.113

  日期：2013.5

  By screening directed libraries of serine hydrolase inhibitors using the cell surface form of endothelial lipase (EL), we identified a series of carbamate-derived (EL) inhibitors. Compound 3 raised plasma HDL-C levels in the mouse, and a correlation was found between HDL-C and plasma compound levels. Spectroscopic and kinetic studies support a covalent mechanism of inhibition. Our findings represent the first report of EL inhibition as an effective means for increasing HDL-C in an in vivo model. (C) 2013 Elsevier Ltd. All rights reserved.