1-[[1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione | 1207872-45-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 三唑核糖核苷和核糖核苷酸
• 英文名称: 1-[[1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione
• CAS: 1207872-45-4
• 化学式: C₁₇H₂₅N₅O₄S₂
• 分子量: 427.549
• InChiKey: XTLSTYQGITYTJB-IXYNUQLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  160
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 甲胺 作用下， 以 乙醇 为溶剂， 生成 1-[[1-[(2R,3S,4R,5R)-3,4-bis(ethylsulfanyl)-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione
  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.