| 1400632-36-1

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 1400632-36-1
• 化学式: C₁₁H₁₆N₅O₈P
• 分子量: 377.25
• InChiKey: TYBWUZADNUBOIC-KPCPHYELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.14
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  217.04
• 氢给体数：
  7.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 alkaline earth salt of/the/ methylsulfuric acid 以47 mg的产率得到9-(6-deoxy-6-phosphono-β-D-ribo-(5S)-hexofuranosyl)guanine sodium salt
  参考文献：
  名称：

  An Alternative Pathway to Ribonucleoside β-Hydroxyphosphonate Analogues and Related Prodrugs

  摘要：

  Nucleoside beta-(S)-hydroxyphosphonate analogues have recently proven to be interesting bioactive compounds as 5'-nucleotidase inhibitors. These derivatives were obtained in a pyrimidine series through an ex-chiral pool pathway or the stereoselective reduction of beta-ketophosphonate intermediate. Herein, an original synthesis of these compounds using nucleoside epoxide intermediates, containing either a pyrimidine or a purine as nucleobase, was explored and allowed the direct synthesis of the corresponding bis S-acyl-2-thioethyl (SATE) prodrugs.

  DOI：

  10.1021/ol402143y
• 作为产物：
  描述：

  N,N-2(ditert-butoxycarbonyl)-9-(2,3-O-isopropylidene-β-D-ribo-(5R)-hexofuranosyl)-6-O-methylpurine 在 N,O-双三甲硅基乙酰胺 、 三甲基溴硅烷 、 水 、 溶剂黄146 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 10.0h， 生成
  参考文献：
  名称：

  An Alternative Pathway to Ribonucleoside β-Hydroxyphosphonate Analogues and Related Prodrugs

  摘要：

  Nucleoside beta-(S)-hydroxyphosphonate analogues have recently proven to be interesting bioactive compounds as 5'-nucleotidase inhibitors. These derivatives were obtained in a pyrimidine series through an ex-chiral pool pathway or the stereoselective reduction of beta-ketophosphonate intermediate. Herein, an original synthesis of these compounds using nucleoside epoxide intermediates, containing either a pyrimidine or a purine as nucleobase, was explored and allowed the direct synthesis of the corresponding bis S-acyl-2-thioethyl (SATE) prodrugs.

  DOI：

  10.1021/ol402143y