2-methoxy-3-methyl-6-(2,3,5-tri-O-benzoyl-β-D-ribofuranosylamino)pyrimidin-4-(3H)-one | 160053-28-1

• 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: 2-methoxy-3-methyl-6-(2,3,5-tri-O-benzoyl-β-D-ribofuranosylamino)pyrimidin-4-(3H)-one
• CAS: 160053-28-1
• 化学式: C₃₂H₂₉N₃O₉
• 分子量: 599.597
• InChiKey: UVYMJRQVJIDQBF-NHMNHLDDSA-N

物化性质

• 沸点：
  718.978±70.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.350±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  44.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  144.28
• 氢给体数：
  1.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2-methoxy-3-methyl-6-(2,3,5-tri-O-benzoyl-β-D-ribofuranosylamino)pyrimidin-4-(3H)-one 在 溶剂黄146 、 sodium nitrite 作用下， 反应 0.25h， 生成 2-methoxy-3-methyl-5-nitroso-6-(2,3,5-tri-O-benzoyl-β-D-ribofuranosylamino)pyrimidin-4-(3H)-one
  参考文献：
  名称：

  Selective Synthesis of 6-Ribo- (and Xylo) Pyrano and Furano Aminopyrimidines¹. Anticancer and Anti-AIDS Activities

  摘要：

  The synthesis and the anticancer and anti-AIDS activity of some 6-ribo (and xylo) pyrano and furano aminopyrimidines have been carried out. Isomerization to ribopyranose has been observed when per-O-acyl ribofuranoses were deprotected under basic medium.

  DOI：

  10.1080/15257779408013254
• 作为产物：
  描述：

  6-氨基-2-甲氧基-3-甲基-4(3H)-嘧啶酮 在 硫酸氢铵 、 四氯化锡 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 2-methoxy-3-methyl-6-(2,3,5-tri-O-benzoyl-β-D-ribofuranosylamino)pyrimidin-4-(3H)-one
  参考文献：
  名称：

  Selective Synthesis of 6-Ribo- (and Xylo) Pyrano and Furano Aminopyrimidines¹. Anticancer and Anti-AIDS Activities

  摘要：

  The synthesis and the anticancer and anti-AIDS activity of some 6-ribo (and xylo) pyrano and furano aminopyrimidines have been carried out. Isomerization to ribopyranose has been observed when per-O-acyl ribofuranoses were deprotected under basic medium.

  DOI：

  10.1080/15257779408013254