(2S,2'S)-N,N'-(3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(2-formamido-4-(methylthio)butanamide) | 1429788-65-7

• 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: (2S,2'S)-N,N'-(3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(2-formamido-4-(methylthio)butanamide)
• CAS: 1429788-65-7
• 化学式: C₃₂H₃₂N₄O₇S₂
• 分子量: 648.761
• InChiKey: HPWBJPSRVZQQQK-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.87
• 重原子数：
  45.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  151.93
• 氢给体数：
  4.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (2S,2'S)-N,N'-(3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(2-formamido-4-(methylthio)butanamide) 在 β-galactosidase from Escherichia coli 作用下， 以 aq. phosphate buffer 为溶剂， 生成 rhodamine 110
  参考文献：
  名称：

  Diced Electrophoresis Gel Assay for Screening Enzymes with Specified Activities

  摘要：

  We have established the diced electrophoresis gel (DEG) assay as a proteome-wide screening tool to identify enzymes with activities of interest using turnover-based fluorescent substrates. The method utilizes the combination of native polyacrylamide gel electrophoresis (PAGE) with a multiwell-plate-based fluorometric assay to find protein spots with the specified activity. By developing fluorescent substrates that mimic the structure of neutrophil chemoattractants, we could identify enzymes involved in metabolic inactivation of the chemoattractants.

  DOI：

  10.1021/ja401792d
• 作为产物：
  描述：

  N-甲酰-L-蛋氨酸 、 3',6'-diamino-spiro[phthalan-1,9'-xanthen]-3-one 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以23%的产率得到(2S,2'S)-N,N'-(3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl)bis(2-formamido-4-(methylthio)butanamide)
  参考文献：
  名称：

  Diced Electrophoresis Gel Assay for Screening Enzymes with Specified Activities

  摘要：

  We have established the diced electrophoresis gel (DEG) assay as a proteome-wide screening tool to identify enzymes with activities of interest using turnover-based fluorescent substrates. The method utilizes the combination of native polyacrylamide gel electrophoresis (PAGE) with a multiwell-plate-based fluorometric assay to find protein spots with the specified activity. By developing fluorescent substrates that mimic the structure of neutrophil chemoattractants, we could identify enzymes involved in metabolic inactivation of the chemoattractants.

  DOI：

  10.1021/ja401792d