(S)-4-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-hydroxy-2-methyl-4-oxo-butyric acid benzyl ester | 568578-52-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-4-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-hydroxy-2-methyl-4-oxo-butyric acid benzyl ester
• CAS: 568578-52-9
• 化学式: C₂₂H₂₃NO₆
• 分子量: 397.428
• InChiKey: SLYJUXNVLBWOLV-GCJKJVERSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  93.14
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-4-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-hydroxy-2-methyl-4-oxo-butyric acid benzyl ester 在 lithium hydroxide 、 lutidine 作用下， 生成 (S)-2-Methyl-2-triethylsilanyloxy-succinic acid 1-benzyl ester
  参考文献：
  名称：

  The selective inhibition of phosphatases by natural toxins: the anhydride domain of tautomycin is not a primary factor in controlling PP1/PP2A selectivity

  摘要：

  Analogues of the potent and moderately selective PP1/PP2A inhibitor tautomycin (TM) were prepared with modifications in the C1'-C7' anhydride moiety. While all retain varying degrees of activity within a 3000-fold range of potencies, they also show remarkable constancy in their IC50 ratios, suggesting that the anhydride moiety is not critical in controlling the selectivity of inhibition. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00105-7
• 作为产物：
  描述：

  benzyl pyruvate 、 (4R)-N-乙酰基)-4-苯基-2-唑烷酮 在 lithium diisopropyl amide 作用下， 生成 (S)-4-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-hydroxy-2-methyl-4-oxo-butyric acid benzyl ester 、 (R)-4-((R)-4-Benzyl-2-oxo-oxazolidin-3-yl)-2-hydroxy-2-methyl-4-oxo-butyric acid benzyl ester
  参考文献：
  名称：

  The selective inhibition of phosphatases by natural toxins: the anhydride domain of tautomycin is not a primary factor in controlling PP1/PP2A selectivity

  摘要：

  Analogues of the potent and moderately selective PP1/PP2A inhibitor tautomycin (TM) were prepared with modifications in the C1'-C7' anhydride moiety. While all retain varying degrees of activity within a 3000-fold range of potencies, they also show remarkable constancy in their IC50 ratios, suggesting that the anhydride moiety is not critical in controlling the selectivity of inhibition. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00105-7