(9H-fluoren-9-yl)methyl (S)-(6-amino-1-oxo-1-((4-(((phenethylcarbamoyl)oxy)methyl)phenyl)amino)hexan-2-yl)carbamate 2,2,2-trifluoroacetate | 1225187-14-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (9H-fluoren-9-yl)methyl (S)-(6-amino-1-oxo-1-((4-(((phenethylcarbamoyl)oxy)methyl)phenyl)amino)hexan-2-yl)carbamate 2,2,2-trifluoroacetate
• CAS: 1225187-14-3
• 化学式: C₂HF₃O₂*C₃₇H₄₀N₄O₅
• 分子量: 734.772
• InChiKey: JGBUDBRHSJOVIL-GXUZKUJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.76
• 重原子数：
  53.0
• 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：
  169.08
• 氢给体数：
  5.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (9H-fluoren-9-yl)methyl (S)-(6-amino-1-oxo-1-((4-(((phenethylcarbamoyl)oxy)methyl)phenyl)amino)hexan-2-yl)carbamate 2,2,2-trifluoroacetate 在 porcine pancreas trypsin type IX-S 、 碳酸氢钠 作用下， 以 water-d2 、 氘代甲醇 为溶剂， 反应 30.0h， 生成 对氨基苯甲醇 、 FMOC-赖氨酸 、 2-苯乙胺
  参考文献：
  名称：

  Supramolecular hydrogels for enzymatically triggered self-immolative drug delivery

  摘要：

  For the first time the combination of self-immolative spacers and supramolecular hydrogels has been tested in enzyme triggered drug release Low-molecular weight drug-gelator conjugates have been prepared, which contain a gel forming lysine moiety linked to model drugs (benzylamme and phenethylamine) through a self-immolating spacer (p-aminobenzyloxycarbonyl) In the presence of trypsin the amide linkage between the gelator moiety and the spacer is hydrolyzed leading to the release of the model drug This approach provides with distinct advantages, such as sustained release or versatility associated to the use of supramolecular hydrogels and self-immolative spacers, respectively (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.033