(9R,10R,11S,12R)-5-(dimethylamino)-10,11-dihydroxy-15-oxa-1,2,3,6,8-pentazatetracyclo[6.5.1.19,12.04,14]pentadeca-2,4(14),5-trien-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: (9R,10R,11S,12R)-5-(dimethylamino)-10,11-dihydroxy-15-oxa-1,2,3,6,8-pentazatetracyclo[6.5.1.19,12.04,14]pentadeca-2,4(14),5-trien-7-one
• 化学式: C₁₁H₁₄N₆O₄
• 分子量: 294.27
• InChiKey: BXDGXKFWICVDAD-KQYNXXCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5'-azido-5'-deoxy-2',3'-O-isopropylideneuridine 在 盐酸 、 4-二甲氨基吡啶 、 ammonium cerium(IV) nitrate 、 triisopropylbenzenesulfonyl chloride 、 三乙胺 、 lithium bromide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 30.5h， 生成 (9R,10R,11S,12R)-5-(dimethylamino)-10,11-dihydroxy-15-oxa-1,2,3,6,8-pentazatetracyclo[6.5.1.19,12.04,14]pentadeca-2,4(14),5-trien-7-one
  参考文献：
  名称：

  Synthesis and Anti-Hcv Activity of N ⁹, 5′-Cyclo-3-(β-D-Ribofuranosyl)-8-Azapurin-2-One Derivatives

  摘要：

  A number of 1- or 6-substituted N-9 ,5'-cyclo-3-(beta-D-ribofuranosyl)-8-azapurin-2-one derivatives were synthesized in multi-step reactions. Their anti-hepatitis C virus activities were evaluated and some structure-activity relationship is discussed.

  DOI：

  10.1080/15257770500265802

文献信息

• SYNTHESIS AND ANTI-HEPATITIS C VIRUS ACTIVITY OF NUCLEOSIDE DERIVATIVES OF <i>N</i> ³,5′-ANHYDRO-4-(β-D-RIBOFURANOSYL)-8-AZAPURIN-2-ONES
  作者：Abdalla E. A. Hassan、Peiyuan Wang、Tamara R. McBrayer、Phillip M. Tharnish、Lieven J. Stuyver、Raymond F. Schinazi、Michael J. Otto、Kyoichi A. Watanabe

  DOI：10.1081/ncn-200059319

  日期：2005.4.1

  A series of N-3,5'-Anhydro-4-(beta-D-ribofuranosyl)-8-azapurin-2-ones were prepared in multistep reactions from uridine as potential anti-hepatitis C virus (HC V) agents. The synthetic details as well as biological evaluations are discussed.
• Synthesis and Anti-Hcv Activity of <i>N</i> ⁹, 5′-Cyclo-3-(β-D-Ribofuranosyl)-8-Azapurin-2-One Derivatives
  作者：Abdalla E. A. Hassan、Peiyuan Wang、Tamara McBrayer、Philip Tharnish、Lieven Stuyver、Michael J. Otto、Kyoichi A. Watanabe、Raymond F. Schinazi

  DOI：10.1080/15257770500265802

  日期：2005.9.1

  A number of 1- or 6-substituted N-9 ,5'-cyclo-3-(beta-D-ribofuranosyl)-8-azapurin-2-one derivatives were synthesized in multi-step reactions. Their anti-hepatitis C virus activities were evaluated and some structure-activity relationship is discussed.