4-methyl-3-(2-oxooxazolidine-3-carbonyl)-N-(trityloxy)pentanamide | 910581-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-methyl-3-(2-oxooxazolidine-3-carbonyl)-N-(trityloxy)pentanamide
• CAS: 910581-23-6
• 化学式: C₂₉H₃₀N₂O₅
• 分子量: 486.568
• InChiKey: YBHNZVQFFDBFJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 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：

  4-methyl-3-(2-oxooxazolidine-3-carbonyl)-N-(trityloxy)pentanamide 在 lithium hydroxide 、 双氧水 、 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 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-isopropyl-N1-(prop-2-ynyl)-N4-(trityloxy)succinamide
  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：

  3-(3-甲基丁酰基)-1,3-恶唑烷-2-酮 在 sodium hexamethyldisilazane 、 二乙醇胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-methyl-3-(2-oxooxazolidine-3-carbonyl)-N-(trityloxy)pentanamide
  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