9-[2-(1,1-difluoro-2-hydro-ethylsulfanyl)-ethyl]-9H-purin-6-ol | 1145765-13-4

• 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: 9-[2-(1,1-difluoro-2-hydro-ethylsulfanyl)-ethyl]-9H-purin-6-ol
• 英文别名: 9-[2-(1,1-difluoro-2-hydroxyethyl)sulfanylethyl]-1H-purin-6-one
• CAS: 1145765-13-4
• 化学式: C₉H₁₀F₂N₄O₂S
• 分子量: 276.267
• InChiKey: UIKGLLPDPQWFIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[2-(6-chloropurin-9-yl)-ethylsulfanyl]-2,2-difluoroethanol 在 sodium methylate 、 乙硫醇 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以32%的产率得到9-[2-(1,1-difluoro-2-hydro-ethylsulfanyl)-ethyl]-9H-purin-6-ol
  参考文献：
  名称：

  Synthesis and biological evaluation of fluorinated acyclothionucleosides

  摘要：

  The discovery of thio- and fluoro-nucleosides as antiviral or anticancer agents Prompts us to explore the synthesis of acyclic analogous. In this paper is reported the preparation of acyclothionucleosides by the alkylation of nucleic bases with difluorothio-esters and -alcohols. Compounds Structurally Close to known antiviral agents were tested towards a large variety of Viruses. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.04.005

文献信息

• Synthesis and biological evaluation of fluorinated acyclothionucleosides
  作者：Sonia Gouault-Bironneau、Aboubacary Sène、Jean-Marie Catel、Thierry Lequeux

  DOI：10.1016/j.jfluchem.2008.04.005

  日期：2008.9

  The discovery of thio- and fluoro-nucleosides as antiviral or anticancer agents Prompts us to explore the synthesis of acyclic analogous. In this paper is reported the preparation of acyclothionucleosides by the alkylation of nucleic bases with difluorothio-esters and -alcohols. Compounds Structurally Close to known antiviral agents were tested towards a large variety of Viruses. (c) 2008 Elsevier B.V. All rights reserved.