1-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione | 201421-01-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 1-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
• CAS: 201421-01-4
• 化学式: C₂₃H₄₄N₂O₆Si₂
• 分子量: 500.783
• InChiKey: GRNFCCQZWQIISP-SOAMZJECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  91.92
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione 在 chromium(VI) oxide 作用下， 以 吡啶 为溶剂， 生成 1-[(2R,3S,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-oxo-tetrahydro-furan-2-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Novel Analogues of the Anti-HIV-1 Agent TSAO-T Modified at the 3′-Spiro Moiety

  摘要：

  Novel TSAO-T analogues, in which the 3'-spiroaminooxatioledioxide moiety has been replaced by other 3'-spiro moieties bearing a NH group at the same position as the 4 ''-NH2 of TSAO-T have been prepared and evaluated for their inhibitory effect on HIV replication in cell culture. In contrast to the prototype compound TSAO-T, the novel TSAO derivatives were inactive at subtoxic concentrations.

  DOI：

  10.1080/07328319708006126
• 作为产物：
  描述：

  Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(3,5-dimethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester 在 氨 作用下， 以 甲醇 为溶剂， 生成 1-[(2R,3R,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-4-hydroxy-tetrahydro-furan-2-yl]-3,5-dimethyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Novel Analogues of the Anti-HIV-1 Agent TSAO-T Modified at the 3′-Spiro Moiety

  摘要：

  Novel TSAO-T analogues, in which the 3'-spiroaminooxatioledioxide moiety has been replaced by other 3'-spiro moieties bearing a NH group at the same position as the 4 ''-NH2 of TSAO-T have been prepared and evaluated for their inhibitory effect on HIV replication in cell culture. In contrast to the prototype compound TSAO-T, the novel TSAO derivatives were inactive at subtoxic concentrations.

  DOI：

  10.1080/07328319708006126