5-methylthio-2-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-4H-1,2,4,6-thiatriazin-3-one 1,1-dioxide

• 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: 5-methylthio-2-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-4H-1,2,4,6-thiatriazin-3-one 1,1-dioxide
• 英文别名: [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(5-methylsulfanyl-1,1,3-trioxo-4H-1,2,4,6-thiatriazin-2-yl)tetrahydrofuran-2-yl]methyl benzoate；[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(5-methylsulfanyl-1,1,3-trioxo-4H-1,2,4,6-thiatriazin-2-yl)oxolan-2-yl]methyl benzoate
• 化学式: C₂₉H₂₅N₃O₁₀S₂
• 分子量: 639.664
• InChiKey: RWWWGMNSLMQYGO-MOUTVQLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  44
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  201
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1-乙酰氧基-2,3,5-三苯甲酰氧基-1-beta-D-呋喃核糖 、 5-Methylsulfanyl-1,1-dioxo-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one 在 N,O-双三甲硅基乙酰胺 、 三氟甲磺酸三甲基硅酯 作用下， 生成 (2R,5R)-2-acetamido-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl dibenzoate 、 5-methylthio-2-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-4H-1,2,4,6-thiatriazin-3-one 1,1-dioxide
  参考文献：
  名称：

  Synthesis and Anti-HIV Properties of 1,2,4,6-Thiatriazin-3-one 1,1-Dioxtoe Nucleosides

  摘要：

  Synthesis of 1,2,4,6-thiatriazine 1,l-dioxide nucleosides is now reported for the first time. In order to know the conformation of the nucleosides, a NMR study has been carried out. Anti-HIV-1 and HIV-8 properties of the nucleosides have been tested. These compounds have not shown activity at subtoxic concentrations.

  DOI：

  10.1080/07328319808003462

文献信息

• Synthesis and Anti-HIV Properties of 1,2,4,6-Thiatriazin-3-one 1,1-Dioxtoe Nucleosides
  作者：Carmen Ochoa、Rafael Provencio、Maria Luisa Jimeno、Jan Balzarini、Erik De Clercq

  DOI：10.1080/07328319808003462

  日期：1998.5

  Synthesis of 1,2,4,6-thiatriazine 1,l-dioxide nucleosides is now reported for the first time. In order to know the conformation of the nucleosides, a NMR study has been carried out. Anti-HIV-1 and HIV-8 properties of the nucleosides have been tested. These compounds have not shown activity at subtoxic concentrations.