(1S,2R)-1-((2R,3R,4S,6S)-3-acetamido-4-acetoxy-6-(methoxycarbonyl)-6-(undec-10-en-1-ylthio)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate | 946846-52-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1S,2R)-1-((2R,3R,4S,6S)-3-acetamido-4-acetoxy-6-(methoxycarbonyl)-6-(undec-10-en-1-ylthio)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
• CAS: 946846-52-2
• 化学式: C₃₁H₄₉NO₁₂S
• 分子量: 659.796
• InChiKey: KOYAQVVMPDSJQA-HGFLXESSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  45.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  169.83
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  10-十一烯-1-醇 在 吡啶 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 (1S,2R)-1-((2R,3R,4S,6S)-3-acetamido-4-acetoxy-6-(methoxycarbonyl)-6-(undec-10-en-1-ylthio)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
  参考文献：
  名称：

  Novel linear polymers bearing thiosialosides as pendant-type epitopes for influenza neuraminidase inhibitors

  摘要：

  A conventional synthesis of alpha-thioglycoside of sialic acid as a glycomonomer was accomplished. Radical copolymerization of the glycomonomer with vinyl acetate proceeded smoothly to afford a new class of glycopolymers having thiosialoside residues, in which all protection was removed by a combination of transesterification and saponification to provide a water-soluble thiosialoside cluster. The results of a preliminary study on biological responses against influenza virus neuraminidases using the thiosialoside polymer as a candidate for a neuraminidase inhibitor showed that the glycopolymer has potent inhibitory activity against the neuraminidases. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.016