[2-(Difluoromethyl)-4-nitrophenyl] diethyl phosphate | 429692-36-4

• 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: [2-(Difluoromethyl)-4-nitrophenyl] diethyl phosphate
• CAS: 429692-36-4
• 化学式: C₁₁H₁₄F₂NO₆P
• 分子量: 325.206
• InChiKey: XNTAILIHUSNXRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [2-(Difluoromethyl)-4-nitrophenyl] diethyl phosphate 在 palladium on activated charcoal 三甲基溴硅烷 、 氢气 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 [2-(Difluoromethyl)-4-[[4-oxo-4-[2-(pyridin-2-yldisulfanyl)ethylamino]butanoyl]amino]phenyl] dihydrogen phosphate
  参考文献：
  名称：

  Direct Screening for Phosphatase Activity by Turnover-Based Capture of Protein Catalysts This work was supported by BBSRC studentships (to J.B. and H.D.), by an EPSRC studentship (to J.H.R.), and by an EC TMR studentship (to S.C.-T.).

  摘要：

  DOI：

  10.1002/1521-3773(20020301)41:5<775::aid-anie775>3.0.co;2-f
• 作为产物：
  描述：

  5-硝基水杨醛 在 二乙胺基三氟化硫 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 生成 [2-(Difluoromethyl)-4-nitrophenyl] diethyl phosphate
  参考文献：
  名称：

  Direct Screening for Phosphatase Activity by Turnover-Based Capture of Protein Catalysts This work was supported by BBSRC studentships (to J.B. and H.D.), by an EPSRC studentship (to J.H.R.), and by an EC TMR studentship (to S.C.-T.).

  摘要：

  DOI：

  10.1002/1521-3773(20020301)41:5<775::aid-anie775>3.0.co;2-f

文献信息

• Activity-based fluorescent probes that target phosphatases
  作者：Qing Zhu、Xuan Huang、Grace Y.J. Chen、Shao Q. Yao

  DOI：10.1016/s0040-4039(03)00348-4

  日期：2003.3

  We have successfully designed and synthesized two fluorescently-labeled, activity-based probes, Probe I and Probe 2, which were shown to label protein tyrosine phosphatases specifically, as well as other types of phosphatases. The probes were not reactive towards the other non-phosphatase enzymes tested. These probes may find potential applications in large-scale proteomic experiments whereby subclasses of proteins may be selectively identified. (C) 2003 Elsevier Science Ltd. All rights reserved.