{7-[4-(Diethoxy-phosphoryloxy)-3-hydroxy-butoxy]-2-oxo-2H-chromen-4-yl}-acetic acid methyl ester | 669768-19-8

• 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: {7-[4-(Diethoxy-phosphoryloxy)-3-hydroxy-butoxy]-2-oxo-2H-chromen-4-yl}-acetic acid methyl ester
• CAS: 669768-19-8
• 化学式: C₂₀H₂₇O₁₀P
• 分子量: 458.402
• InChiKey: WCUGITCFDRXJSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  31.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  130.73
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  {7-[4-(Diethoxy-phosphoryloxy)-3-hydroxy-butoxy]-2-oxo-2H-chromen-4-yl}-acetic acid methyl ester 在 碘代三甲硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以55%的产率得到Methyl 2-[7-(3-hydroxy-4-phosphonooxybutoxy)-2-oxochromen-4-yl]acetate
  参考文献：
  名称：

  Design and synthesis of fluorogenic substrates that target protein phosphatases

  摘要：

  We have successfully designed and synthesized new fluorogenic probes that specifically target different classes of protein phosphatases. The fluorescence profiles of the probes have been studied using 12 different phosphatases, and results showed that, besides alkaline and tyrosine phosphatases, our probes were able to detect serine/threonine as well as acid phosphatases. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.058
• 作为产物：
  描述：

  在 高氯酸 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 42.0h， 生成 {7-[4-(Diethoxy-phosphoryloxy)-3-hydroxy-butoxy]-2-oxo-2H-chromen-4-yl}-acetic acid methyl ester
  参考文献：
  名称：

  Design and synthesis of fluorogenic substrates that target protein phosphatases

  摘要：

  We have successfully designed and synthesized new fluorogenic probes that specifically target different classes of protein phosphatases. The fluorescence profiles of the probes have been studied using 12 different phosphatases, and results showed that, besides alkaline and tyrosine phosphatases, our probes were able to detect serine/threonine as well as acid phosphatases. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.11.058