| 1196690-76-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1196690-76-2
• 化学式: C₃₇H₅₂Cl₃NO₁₅Si
• 分子量: 885.262
• InChiKey: WMBQZUPHVONZBY-PXFBUNEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  57.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  193.66
• 氢给体数：
  1.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  、 在 三氟甲磺酸三甲基硅酯 作用下， 以 二氯甲烷 为溶剂， 以33%的产率得到2-(trimethylsilyl)ethyl 2,3,5,6-tetra-O-acetyl-β-D-galactofuranosyl-(1-3)-2-O-benzyl-4,6-O-DTBS-α-D-galactopyranosyl-(1-4)-(methyl 5-methoxycarbonylamino-5,7-N,O-DTBS-8,9-O-DTBS-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosydonate)-(2-3)-2,6-di-O-benzyl-β-D-galactopyranosyl-(1-4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside
  参考文献：
  名称：

  Synthesis and binding analysis of unique AG2 pentasaccharide to human Siglec-2 using NMR techniques

  摘要：

  Siglec-2 is a mammalian sialic acid binding protein expressed on B-cell surfaces and is involved in the modulation of B-cell mediated immune response. We synthesized a unique starfish ganglioside, AG2 pentasaccharide Galf beta(1-3)Galp alpha(1-4)Neu5Ac alpha(2-3)Galp beta(1-4)Glcp, and found that the synthetic pentasaccharide binds to human Siglec-2 by performing (1)H NMR experiments. Saturation transfer difference NMR experiments indicated that the C7-C9 side-chain and the acetamide moiety of the central sialic acid residue were located in the binding face of human Siglec-2. We determined the binding epitope of AG2 pentasaccharide to human Siglec-2, as the Galp alpha(1-4)Neu5Ac alpha(2-3)Galp unit. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.03.062