<1-(2'-O-acetyl-5',6'-di-O-benzoyl-β-D-allofuranosyl)thymine>-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) | 175471-58-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: <1-(2'-O-acetyl-5',6'-di-O-benzoyl-β-D-allofuranosyl)thymine>-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)
• 英文别名: [1-(2'-O-acetyl-5',6'-di-O-benzoyl-β-D-allofuranosyl)thymine]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)；[(2R)-2-[(5R,6R,8R,9R)-9-acetyloxy-4-amino-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-6-yl]-2-benzoyloxyethyl] benzoate
• CAS: 175471-58-6
• 化学式: C₂₉H₂₇N₃O₁₂S
• 分子量: 641.612
• InChiKey: UAPUJUNABCVGHI-HWNHVGJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  212.38
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  <1-(2'-O-acetyl-5',6'-di-O-benzoyl-β-D-allofuranosyl)thymine>-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) 在 氨 作用下， 反应 3.0h， 生成
  参考文献：
  名称：

  Novel Tsao Derivatives. Synthesis and Anti-HIV-1 Activity of Allofuranosyl-TSAO-T Analogues

  摘要：

  Novel TSAO-T analogues, in which the ribofuranosyl moiety has been replaced by an hexofuranosyl sugar moiety, have been prepared and evaluated for their inhibitory effect on HIV-1 replication in cell culture. In contrast to the prototype compound TSAO-T, the hexofuranosyl derivatives proved not active at subtoxic concentrations.

  DOI：

  10.1080/07328319608002389
• 作为产物：
  描述：

  O,O-二(三甲基甲硅烷基)胸苷 在 三氟甲磺酸三甲基硅酯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 4.5h， 生成 <1-(2'-O-acetyl-5',6'-di-O-benzoyl-β-D-allofuranosyl)thymine>-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)
  参考文献：
  名称：

  Novel Tsao Derivatives. Synthesis and Anti-HIV-1 Activity of Allofuranosyl-TSAO-T Analogues

  摘要：

  Novel TSAO-T analogues, in which the ribofuranosyl moiety has been replaced by an hexofuranosyl sugar moiety, have been prepared and evaluated for their inhibitory effect on HIV-1 replication in cell culture. In contrast to the prototype compound TSAO-T, the hexofuranosyl derivatives proved not active at subtoxic concentrations.

  DOI：

  10.1080/07328319608002389