2-[(3aR,4R,6R,6aS)-6-(6-Chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-ethanol | 828937-28-6

• 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: 2-[(3aR,4R,6R,6aS)-6-(6-Chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-ethanol
• CAS: 828937-28-6
• 化学式: C₁₅H₁₉ClN₄O₃
• 分子量: 338.794
• InChiKey: ADUSWPWEKFBBPZ-SPFNVWMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  82.29
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-[(3aR,4R,6R,6aS)-6-(6-Chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-ethanol 在 盐酸 、 氨 作用下， 以 甲醇 为溶剂， 生成 (-)-5'-homoaristeromycin
  参考文献：
  名称：

  5′-Homoaristeromycin. Synthesis and antiviral activity against orthopox viruses

  摘要：

  An efficient synthesis of 5'-homoaristeromycin has been developed. This permitted an extensive antiviral analysis, which found potent activity toward vaccinia, cowpox, and monkeypox viruses. For comparative purposes, 5'-homoadenosine was made available by a newly designed route and found to be inactive. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.019
• 作为产物：
  描述：

  ((3aR,4R,6aR)-2,2-Dimethyl-6-oxo-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-acetic acid ethyl ester 在 sodium tetrahydroborate 、 偶氮二甲酸二异丙酯 、 二异丁基氢化铝 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 2-[(3aR,4R,6R,6aS)-6-(6-Chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl]-ethanol
  参考文献：
  名称：

  5′-Homoaristeromycin. Synthesis and antiviral activity against orthopox viruses

  摘要：

  An efficient synthesis of 5'-homoaristeromycin has been developed. This permitted an extensive antiviral analysis, which found potent activity toward vaccinia, cowpox, and monkeypox viruses. For comparative purposes, 5'-homoadenosine was made available by a newly designed route and found to be inactive. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.019