{2-[7-(3,4-Diacetoxy-butoxy)-2-oxo-2H-chromen-4-yl]-acetylamino}-acetic acid benzyl ester | 525578-99-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {2-[7-(3,4-Diacetoxy-butoxy)-2-oxo-2H-chromen-4-yl]-acetylamino}-acetic acid benzyl ester
• CAS: 525578-99-8
• 化学式: C₂₈H₂₉NO₁₀
• 分子量: 539.539
• InChiKey: FHQQUQTZEVMVNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  39.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  147.44
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  {2-[7-(3,4-Diacetoxy-butoxy)-2-oxo-2H-chromen-4-yl]-acetylamino}-acetic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 12.0h， 以90 mg的产率得到2-[(7-(3,4-diacetoxybutoxy)coumarin-4-acetylamino)]-acetic acid
  参考文献：
  名称：

  Enzymatic Profiling System in a Small-Molecule Microarray

  摘要：

  We have developed a microarray-based strategy for detection of three major classes of hydrolytic enzymes on the basis of their catalytic activities. This enables the sensitive detection of proteins not merely by their bindings but rather by their enzymatic activities. This may provide a valuable tool for screening, identification, and characterization of new enzymes in a high-throughput fashion.

  DOI：

  10.1021/ol034233h
• 作为产物：
  描述：

  2-[7-(3-butenyloxy)coumarin-4-acetylamino]-acetic acid benzyl ester 在 4-二甲氨基吡啶 、 高氯酸 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 72.0h， 生成 {2-[7-(3,4-Diacetoxy-butoxy)-2-oxo-2H-chromen-4-yl]-acetylamino}-acetic acid benzyl ester
  参考文献：
  名称：

  Enzymatic Profiling System in a Small-Molecule Microarray

  摘要：

  We have developed a microarray-based strategy for detection of three major classes of hydrolytic enzymes on the basis of their catalytic activities. This enables the sensitive detection of proteins not merely by their bindings but rather by their enzymatic activities. This may provide a valuable tool for screening, identification, and characterization of new enzymes in a high-throughput fashion.

  DOI：

  10.1021/ol034233h