5-Methylsulfanyl-1,1-dioxo-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Methylsulfanyl-1,1-dioxo-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one
• 英文别名: 5-methylsulfanyl-1,1-dioxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-1,2,4,6-thiatriazin-3-one；5-methylsulfanyl-1,1-dioxo-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-1,2,4,6-thiatriazin-3-one
• 化学式: C₉H₁₅N₃O₈S₂
• 分子量: 357.365
• InChiKey: JSUVPMSGIJEHCB-XUUWZHRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  203
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Acetic acid (2R,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(5-methylsulfanyl-1,1,3-trioxo-3,4-dihydro-1H-1λ⁶-[1,2,4,6]thiatriazin-2-yl)-tetrahydro-pyran-3-yl ester 在 甲醇 、 氨 作用下， 反应 4.0h， 以86%的产率得到5-Methylsulfanyl-1,1-dioxo-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,4-dihydro-2H-1λ⁶-[1,2,4,6]thiatriazin-3-one
  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.