2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-O-2,4,6-tri-O-benzoyl-β-D-galactopyranosyl)-(1->4)-O-[(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)]-O-(2-aceta... | 143571-65-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-O-2,4,6-tri-O-benzoyl-β-D-galactopyranosyl)-(1->4)-O-[(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)]-O-(2-aceta...
• CAS: 143571-65-7
• 化学式: C₈₆H₁₁₀N₂O₄₂Si
• 分子量: 1871.89
• InChiKey: NXNDKPAGQBTPPI-CRUIQLBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  131.0
• 可旋转键数：
  38.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  545.0
• 氢给体数：
  2.0
• 氢受体数：
  42.0

反应信息

• 作为反应物：
  描述：

  2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-O-2,4,6-tri-O-benzoyl-β-D-galactopyranosyl)-(1->4)-O-[(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)]-O-(2-aceta... 在 三氟乙酸 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以93%的产率得到O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-O-2,4,6-tri-O-benzoyl-β-D-galactopyranosyl)-(1->4)-O-[(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)]-O-(2-acetamido-6-O-acetyl-2-deoxy...
  参考文献：
  名称：

  Synthesis of sialyl lewis x pentasaccharide analogue for high-throughput screening of selectin blockers

  摘要：

  We have developed an effective synthesis of sLe(x) pentasaccharide glycolipid analogue 2. As a part of application of sLe(x) pentasaccharide glycolipid 2 synthesized here, we have investigated the construction of a high-throughput screening system for discovery of selectin blockers. As a result, it was found that compound 2 was a useful ligand for in vitro ELISA assay and could be an important material for high-throughput screening of selectin blockers. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00003-0
• 作为产物：
  描述：

  生成 2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-O-2,4,6-tri-O-benzoyl-β-D-galactopyranosyl)-(1->4)-O-[(2,3,4-tri-O-acetyl-α-L-fucopyranosyl)-(1->3)]-O-(2-aceta...
  参考文献：
  名称：

  立体控制合成唾液酸化的Lewis X神经酰胺，其由选择素家族识别的五糖组成。

  摘要：

  DOI：

  10.1016/s0008-6215(00)90524-x