| 1350638-50-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物
• CAS: 1350638-50-4
• 化学式: C₃₈H₄₇NO₁₉S
• 分子量: 853.852
• InChiKey: PCDKZSKBZLOBTM-HYBFVYQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  59.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  254.03
• 氢给体数：
  1.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  1-萘甲醇 、 在 N-碘代丁二酰亚胺 、 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.5h， 以37%的产率得到
  参考文献：
  名称：

  Rapid Chemo-Enzymatic Synthesis of Peracetylated GlcNAcβ3Galβ-Aglycones

  摘要：

  The inhibition of sialyl Lewis X can prevent unwanted cellular extravasation that is associated with inflammatory diseases and tumor metastasis. Described is an efficient methodology to prepare peracetylated GlcNAc beta 3Gal-aglycone disaccharides subsequently used as metabolic decoys to inhibit sialyl Lewis X expression. Four glycosides were synthesized from one single parent disaccharide that in turn was prepared by large-scale enzymatic synthesis. The procedure avoids lengthy and inefficient synthetic steps to afford the desired disaccharides quickly with good overall yields.

  DOI：

  10.1080/07328303.2011.617023
• 作为产物：
  描述：

  7-allyloxycoumarin 在 吡啶 、 甲醇 、 β3-N-acetylglucosaminyltransferase 、 sodium methylate 、 manganese(ll) chloride 、 bovine serum albumin 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Rapid Chemo-Enzymatic Synthesis of Peracetylated GlcNAcβ3Galβ-Aglycones

  摘要：

  The inhibition of sialyl Lewis X can prevent unwanted cellular extravasation that is associated with inflammatory diseases and tumor metastasis. Described is an efficient methodology to prepare peracetylated GlcNAc beta 3Gal-aglycone disaccharides subsequently used as metabolic decoys to inhibit sialyl Lewis X expression. Four glycosides were synthesized from one single parent disaccharide that in turn was prepared by large-scale enzymatic synthesis. The procedure avoids lengthy and inefficient synthetic steps to afford the desired disaccharides quickly with good overall yields.

  DOI：

  10.1080/07328303.2011.617023