6-amino-5',9-anhydro-3-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine-2(3H)-one | 656808-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-amino-5',9-anhydro-3-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine-2(3H)-one
• CAS: 656808-48-9
• 化学式: C₁₃H₁₅N₅O₄
• 分子量: 305.293
• InChiKey: KHMXKGDSYVZHAD-IOSLPCCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  106.42
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  6-amino-5',9-anhydro-3-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine-2(3H)-one 在 盐酸 作用下， 反应 15.0h， 以88%的产率得到6-amino-5',9-anhydro-3-(β-D-ribofuranosyl)-9H-purine-2(3H)-one hydrochloride
  参考文献：
  名称：

  Synthesis and Biological Activity of 5′,9-Anhydro-3-Purine-ISONucleosides as Potential Anti-Hepatitis C Virus Agents

  摘要：

  In order to study structure-activity relationships among the derivatives and congeners of 5',9-anhydro-3-(beta-D-ribofuranosyl)xanthine for anti-hepatitis C virus activity, a series of 5',9-anhydro-purine-isonucleosides with a substituent (s) at 6- or/and 8-position of the purine moiety were synthesized, and their anti-hepatitis C virus activity and cytotoxicity were evaluated and discussed.

  DOI：

  10.1080/15257770601052307
• 作为产物：
  描述：

  (8R,8aR,11aR,12R)-3-mercapto-10,10-dimethyl-8,8a,11a,12-tetrahydro-1H,7H-8,12-epoxy[1,3]dioxolo[4',5':6,7][1,3]diazocino[1,2,3-cd]purin-1-one 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以63%的产率得到6-amino-5',9-anhydro-3-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine-2(3H)-one
  参考文献：
  名称：

  Synthesis and Biological Activity of 5′,9-Anhydro-3-Purine-ISONucleosides as Potential Anti-Hepatitis C Virus Agents

  摘要：

  In order to study structure-activity relationships among the derivatives and congeners of 5',9-anhydro-3-(beta-D-ribofuranosyl)xanthine for anti-hepatitis C virus activity, a series of 5',9-anhydro-purine-isonucleosides with a substituent (s) at 6- or/and 8-position of the purine moiety were synthesized, and their anti-hepatitis C virus activity and cytotoxicity were evaluated and discussed.

  DOI：

  10.1080/15257770601052307