| 182865-91-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 182865-91-4
• 化学式: C₃₃H₅₅NO₁₉Si
• 分子量: 797.881
• InChiKey: KZFZCZUXQLMNAS-OXHFLMDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.36
• 重原子数：
  54.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  273.59
• 氢给体数：
  4.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  在 吡啶 、 4-二甲氨基吡啶 、 tin(II) trifluoromethanesulfonate 、 1,1-二氯甲醚 、 sodium methylate 、 1,1,3,3-四甲基脲 、 zinc(II) chloride 作用下， 以 甲醇 为溶剂， 生成 N-[(2R,3R,4R,5S,6R)-2-Ethoxy-6-hydroxymethyl-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-4-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide
  参考文献：
  名称：

  Stereoselective synthesis of lewis-associated trisaccharides as E-selectin inhibitors

  摘要：

  Three types of Lewis-associated trisaccharides [the Le(a) analogs, their epimers with respect to the fucose residue (the 1c-epi-Le(a) analogs), and the Le(X) analogs] were synthesized in a stereoselective manner. Not only the Le(a) analogs but also the 1c-epi-Le(a) analogs inhibited E-selectin-mediated neutrophil accumulation into pleural cavity in lipoteichoic acid-treated mice, with the trend being Le(a) > 1c-epi-Le(a) > Le(X). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00370-8
• 作为产物：
  描述：

  在 palladium on activated charcoal 甲酸铵 作用下， 以 乙醇 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  Stereoselective synthesis of lewis-associated trisaccharides as E-selectin inhibitors

  摘要：

  Three types of Lewis-associated trisaccharides [the Le(a) analogs, their epimers with respect to the fucose residue (the 1c-epi-Le(a) analogs), and the Le(X) analogs] were synthesized in a stereoselective manner. Not only the Le(a) analogs but also the 1c-epi-Le(a) analogs inhibited E-selectin-mediated neutrophil accumulation into pleural cavity in lipoteichoic acid-treated mice, with the trend being Le(a) > 1c-epi-Le(a) > Le(X). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00370-8