(R)-3,4-Bis-triethylsilanyloxy-butyric acid (R)-1-[(R)-methoxy-(methoxy-methyl-carbamoyl)-methyl]-2-methyl-propyl ester | 568578-60-9

• 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: (R)-3,4-Bis-triethylsilanyloxy-butyric acid (R)-1-[(R)-methoxy-(methoxy-methyl-carbamoyl)-methyl]-2-methyl-propyl ester
• CAS: 568578-60-9
• 化学式: C₂₅H₅₃NO₇Si₂
• 分子量: 535.869
• InChiKey: VRJORAOUZJJBPP-GMKZXUHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  35.0
• 可旋转键数：
  19.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  83.53
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (R)-3,4-Bis-triethylsilanyloxy-butyric acid (R)-1-[(R)-methoxy-(methoxy-methyl-carbamoyl)-methyl]-2-methyl-propyl ester 在 草酰氯 、 二甲基亚砜 作用下， 生成 (E)-(R)-2-Methyl-4-triethylsilanyloxy-hex-2-enedioic acid 1-benzyl ester 6-{(R)-1-[(R)-methoxy-(methoxy-methyl-carbamoyl)-methyl]-2-methyl-propyl} 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：

  (R)-3,4-Bis-triethylsilanyloxy-butyric acid 在 三乙胺 、 二苯基次膦酰氯 作用下， 生成 (R)-3,4-Bis-triethylsilanyloxy-butyric acid (R)-1-[(R)-methoxy-(methoxy-methyl-carbamoyl)-methyl]-2-methyl-propyl 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