4-amino-1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | 1207872-21-6

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 4-amino-1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• CAS: 1207872-21-6
• 化学式: C₁₃H₂₁N₃O₃S₂
• 分子量: 331.46
• InChiKey: XIARVEWKVABOOV-HJQYOEGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ((2R,3R,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-yl)-3,4-bis(ethylthio)tetrahydrofuran-2-yl)methyl acetate 在 甲胺 作用下， 以 乙醇 为溶剂， 以95%的产率得到4-amino-1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
  参考文献：
  名称：

  Synthesis and antitumor activity of novel 2′,3′-dideoxy-2′,3′-diethanethionucleosides bearing 1,2,3-triazole residues

  摘要：

  A series of novel 2',3'-dideoxy-2',3'-diethanethioribonucleosides and those modified with a triazole ring were prepared in excellent yields and their antitumor activity was evaluated. Nucleosides with a triazole ring, 16a-16c, showed significantly improved activity towards a broad range of tumor cell lines. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.127

文献信息

• Synthesis and antitumor activity of novel 2′,3′-dideoxy-2′,3′-diethanethionucleosides bearing 1,2,3-triazole residues
  作者：Jin-Lan Yu、Qin-Pei Wu、Qing-Shan Zhang、Yan-Hong Liu、Yun-Zheng Li、Zi-Ming Zhou

  DOI：10.1016/j.bmcl.2009.10.127

  日期：2010.1

  A series of novel 2',3'-dideoxy-2',3'-diethanethioribonucleosides and those modified with a triazole ring were prepared in excellent yields and their antitumor activity was evaluated. Nucleosides with a triazole ring, 16a-16c, showed significantly improved activity towards a broad range of tumor cell lines. (c) 2009 Elsevier Ltd. All rights reserved.