tert-butyl N-[2-[2-[2-[[2-[4-[diethoxy(oxido)phosphaniumyl]oxyphenyl]-2-hydroxyacetyl]amino]ethoxy]ethoxy]ethyl]carbamate | 182227-50-5

• 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: tert-butyl N-[2-[2-[2-[[2-[4-[diethoxy(oxido)phosphaniumyl]oxyphenyl]-2-hydroxyacetyl]amino]ethoxy]ethoxy]ethyl]carbamate
• CAS: 182227-50-5
• 化学式: C₂₃H₃₉N₂O₁₀P
• 分子量: 534.544
• InChiKey: QWSKIHPPJQFFAF-UHFFFAOYSA-N

物化性质

• 沸点：
  671.3±55.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  36
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  157
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[2-[2-[[2-[4-[diethoxy(oxido)phosphaniumyl]oxyphenyl]-2-hydroxyacetyl]amino]ethoxy]ethoxy]ethyl]carbamate 在 4,4'-二氨基二苯乙烯-2,2'-二磺酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 26.0h， 生成 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[diethoxy(oxido)phosphaniumyl]oxyphenyl]-2-fluoroacetamide
  参考文献：
  名称：

  Activity-based fluorescent probes that target phosphatases

  摘要：

  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.

  DOI：

  10.1016/s0040-4039(03)00348-4
• 作为产物：
  描述：

  2-(2-(2-氨基乙氧基)乙氧基)乙基氨基甲酸叔丁酯 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.0h， 生成 tert-butyl N-[2-[2-[2-[[2-[4-[diethoxy(oxido)phosphaniumyl]oxyphenyl]-2-hydroxyacetyl]amino]ethoxy]ethoxy]ethyl]carbamate
  参考文献：
  名称：

  Activity-based fluorescent probes that target phosphatases

  摘要：

  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.

  DOI：

  10.1016/s0040-4039(03)00348-4

文献信息

• A versatile mechanism based reaction probe for the direct selection of biocatalysts
  作者：Lee -Chiang Lo、Chih-Hung L. Lo、Kim D. Janda、Daniel B. Kassel、Frank M. Raushel

  DOI：10.1016/0960-894x(96)00379-4

  日期：1996.9

  A mechanism based reaction probe was synthesized and shown to modify a bacterial phosphotriesterase; this strategy for generating a probe is general and should allow the isolation of a host of unique catalysts. Copyright (C) 1996 Elsevier Science Ltd