3'-deoxy-5'-S-ethyl-5'-thio-β-D-erythro-pentofuranosylthymine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3'-deoxy-5'-S-ethyl-5'-thio-β-D-erythro-pentofuranosylthymine
• 英文别名: 1-[(2R,3R,5S)-5-(ethylsulfanylmethyl)-3-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
• 化学式: C₁₂H₁₈N₂O₄S
• 分子量: 286.352
• InChiKey: ZONYDARRDSTRJK-IQJOONFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-脱氧-5-甲基尿苷 以 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 生成 3'-deoxy-5'-S-ethyl-5'-thio-β-D-erythro-pentofuranosylthymine
  参考文献：
  名称：

  Synthesis of 3′-deoxy-5′-S-ethyl-5′-thio-β-d-erythro-pentofuranosylthymine as potential antitumor agent

  摘要：

  The title compound 6 was prepared from the key sugarintermediate 3-deoxy-1,2-O-isopropylidene-alpha-D-erythro-pentofuranosylthymine (1) via five steps. Alternatively, 6 was synthesized from the nucleoside 3'-deoxy-beta-D-erythro-pentofuranosylthymine (7) in two steps. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00877-1

文献信息

• Synthesis of 3′-deoxy-5′-S-ethyl-5′-thio-β-d-erythro-pentofuranosylthymine as potential antitumor agent
  作者：Najim A. Al-Masoudi

  DOI：10.1016/s0040-4039(99)00877-1

  日期：1999.6

  The title compound 6 was prepared from the key sugarintermediate 3-deoxy-1,2-O-isopropylidene-alpha-D-erythro-pentofuranosylthymine (1) via five steps. Alternatively, 6 was synthesized from the nucleoside 3'-deoxy-beta-D-erythro-pentofuranosylthymine (7) in two steps. (C) 1999 Elsevier Science Ltd. All rights reserved.