[2-Oxo-4-[2-oxo-2-[(4-phosphonooxyphenyl)methylamino]ethyl]chromen-7-yl] dihydrogen phosphate | 1042423-61-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: [2-Oxo-4-[2-oxo-2-[(4-phosphonooxyphenyl)methylamino]ethyl]chromen-7-yl] dihydrogen phosphate
• CAS: 1042423-61-9
• 化学式: C₁₈H₁₇NO₁₁P₂
• 分子量: 485.281
• InChiKey: ZLTUALTZHQHWFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  189
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [2-Oxo-4-[2-oxo-2-[(4-phosphonooxyphenyl)methylamino]ethyl]chromen-7-yl] dihydrogen phosphate 在 protein tyrosine phosphatases 作用下， 生成
  参考文献：
  名称：

  Designing better coumarin-based fluorogenic substrates for PTP1B

  摘要：

  As part of a program to develop better PTP1B fluorogenic substrates that more closely mimic the functionality found in the natural substrate, we have prepared and evaluated nine novel analogs of 4-methylumbelliferone phosphate (MUP) with a variety of additional groups occupying the second phosphate binding pocket. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.021
• 作为产物：
  描述：

  在 甲醇 、 碘代三甲硅烷 作用下， 以 二氯甲烷 为溶剂， 以323 mg的产率得到[2-Oxo-4-[2-oxo-2-[(4-phosphonooxyphenyl)methylamino]ethyl]chromen-7-yl] dihydrogen phosphate
  参考文献：
  名称：

  Designing better coumarin-based fluorogenic substrates for PTP1B

  摘要：

  As part of a program to develop better PTP1B fluorogenic substrates that more closely mimic the functionality found in the natural substrate, we have prepared and evaluated nine novel analogs of 4-methylumbelliferone phosphate (MUP) with a variety of additional groups occupying the second phosphate binding pocket. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.021

文献信息

• Designing better coumarin-based fluorogenic substrates for PTP1B
  作者：Christopher P. Holmes、Natalie Macher、J. Russell Grove、Larry Jang、Jennifer D. Irvine

  DOI：10.1016/j.bmcl.2008.04.021

  日期：2008.6

  As part of a program to develop better PTP1B fluorogenic substrates that more closely mimic the functionality found in the natural substrate, we have prepared and evaluated nine novel analogs of 4-methylumbelliferone phosphate (MUP) with a variety of additional groups occupying the second phosphate binding pocket. (C) 2008 Elsevier Ltd. All rights reserved.