3-(2-oxooxazolidine-3-carbonyl)-6-phenyl-N-(trityloxy)hexanamide | 910581-26-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-(2-oxooxazolidine-3-carbonyl)-6-phenyl-N-(trityloxy)hexanamide
• CAS: 910581-26-9
• 化学式: C₃₅H₃₄N₂O₅
• 分子量: 562.665
• InChiKey: LIKAOURTEXCNCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.03
• 重原子数：
  42.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3-(2-oxooxazolidine-3-carbonyl)-6-phenyl-N-(trityloxy)hexanamide 在 lithium hydroxide 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 以65%的产率得到2-(2-oxo-2-(trityloxyamino)ethyl)-5-phenylpentanoic acid
  参考文献：
  名称：

  Rapid Assembly of Matrix Metalloprotease Inhibitors Using Click Chemistry

  摘要：

  A panel of 96 metalloprotease inhibitors was assembled using "click chemistry" by reacting eight zinc-binding hydroxamate warheads with 12 azide building blocks. Screens of the bidentate compounds against representative metalloproteases provided discerning inhibition fingerprints, revealing compounds with low micromolar potency against MMP-7. The relative ease and convenience of the strategy in constructing focused chemical libraries for rapid in situ screening of MMPs is thereby demonstrated.

  DOI：

  10.1021/ol061431a
• 作为产物：
  描述：

  tert-butyl 3-(2-oxooxazolidine-3-carbonyl)-6-phenylhexanoate 在 二乙醇胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-(2-oxooxazolidine-3-carbonyl)-6-phenyl-N-(trityloxy)hexanamide
  参考文献：
  名称：

  Rapid Assembly of Matrix Metalloprotease Inhibitors Using Click Chemistry

  摘要：

  A panel of 96 metalloprotease inhibitors was assembled using "click chemistry" by reacting eight zinc-binding hydroxamate warheads with 12 azide building blocks. Screens of the bidentate compounds against representative metalloproteases provided discerning inhibition fingerprints, revealing compounds with low micromolar potency against MMP-7. The relative ease and convenience of the strategy in constructing focused chemical libraries for rapid in situ screening of MMPs is thereby demonstrated.

  DOI：

  10.1021/ol061431a