(2S,3S,4R,5R,6S)-2-[(2R,3S,4R)-4-(4-Allyloxy-butoxy)-2-(4-phenyl-butoxymethyl)-tetrahydro-pyran-3-yloxy]-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran | 172147-81-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4R,5R,6S)-2-[(2R,3S,4R)-4-(4-Allyloxy-butoxy)-2-(4-phenyl-butoxymethyl)-tetrahydro-pyran-3-yloxy]-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran
• CAS: 172147-81-8
• 化学式: C₅₀H₆₄O₉
• 分子量: 809.053
• InChiKey: BQLQSLIDXOMUHV-XCKXRZQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.07
• 重原子数：
  59.0
• 可旋转键数：
  26.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.07
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (2S,3S,4R,5R,6S)-2-[(2R,3S,4R)-4-(4-Allyloxy-butoxy)-2-(4-phenyl-butoxymethyl)-tetrahydro-pyran-3-yloxy]-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran 在 Wilkinson's catalyst 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 4-[(2R,3S,4R)-2-(4-Phenyl-butoxymethyl)-3-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yloxy]-butan-1-ol
  参考文献：
  名称：

  MALONIC ACID DERIVATIVES AS SIALYL LEWIS X MIMETICS

  摘要：

  Malonic acid derivatives designed as mimetics of the sialyl Lewis X determinant were synthesized. Their inhibitory potency for selectin mediated cell adhesion was evaluated in cell culture assays and in vivo. The receptor binding affinity for E- and P-selectins of simple mimetics was found to be comparable to the potency of the tetrasaccharide sialyl Lewis X. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00214-x
• 作为产物：
  描述：

  4-phenylbutyl 4-methylbenzenesulfonate 在 二苯并-18-冠醚-6 、 三氟甲磺酸三甲基硅酯 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 (2S,3S,4R,5R,6S)-2-[(2R,3S,4R)-4-(4-Allyloxy-butoxy)-2-(4-phenyl-butoxymethyl)-tetrahydro-pyran-3-yloxy]-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran
  参考文献：
  名称：

  MALONIC ACID DERIVATIVES AS SIALYL LEWIS X MIMETICS

  摘要：

  Malonic acid derivatives designed as mimetics of the sialyl Lewis X determinant were synthesized. Their inhibitory potency for selectin mediated cell adhesion was evaluated in cell culture assays and in vivo. The receptor binding affinity for E- and P-selectins of simple mimetics was found to be comparable to the potency of the tetrasaccharide sialyl Lewis X. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00214-x