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... | 143571-67-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 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...
• CAS: 143571-67-9
• 化学式: C₈₃H₉₈Cl₃N₃O₄₂
• 分子量: 1916.05
• InChiKey: HJSDWAINUFCIEB-YXNJZVQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  131.0
• 可旋转键数：
  35.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  568.85
• 氢给体数：
  3.0
• 氢受体数：
  43.0

反应信息

• 作为反应物：
  描述：

  (2S,3R,4E)-2-azido-3-benzoyloxy-4-octadecen-1-ol 、 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... 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以71%的产率得到
  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
• 作为产物：
  描述：

  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... 、 三氯乙腈 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 反应 4.0h， 以85%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：

  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

文献信息

• Synthesis of sialyl lewis x pentasaccharide analogue for high-throughput screening of selectin blockers
  作者：T Kiyoi

  DOI：10.1016/s0968-0896(98)00003-0

  日期：1998.5

  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.