(2-{7-[(S)-6-tert-Butoxycarbonylamino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoylamino]-2-oxo-2H-chromen-4-yl}-acetylamino)-acetic acid benzyl ester | 525579-02-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (2-{7-[(S)-6-tert-Butoxycarbonylamino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoylamino]-2-oxo-2H-chromen-4-yl}-acetylamino)-acetic acid benzyl ester
• CAS: 525579-02-6
• 化学式: C₄₆H₄₈N₄O₁₀
• 分子量: 816.908
• InChiKey: LWPZJLYVDYOJSI-LHEWISCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.74
• 重原子数：
  60.0
• 可旋转键数：
  16.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  191.37
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (2-{7-[(S)-6-tert-Butoxycarbonylamino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoylamino]-2-oxo-2H-chromen-4-yl}-acetylamino)-acetic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 7.0h， 以85%的产率得到2-[[2-[7-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-oxochromen-4-yl]acetyl]amino]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：

  7-氨基-4-羧甲基香豆素 在 2,3,5-三甲基吡啶 、 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 (2-{7-[(S)-6-tert-Butoxycarbonylamino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoylamino]-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