sodium (methyl 5-acetamido-3,5,9-trideoxy-9-(4-phenylbenzyloxamido)-D-glycero-α-D-galacto-2-nonulopyranosid)onate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sodium (methyl 5-acetamido-3,5,9-trideoxy-9-(4-phenylbenzyloxamido)-D-glycero-α-D-galacto-2-nonulopyranosid)onate
• 英文别名: sodium;(2R,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-[[2-oxo-2-[(4-phenylphenyl)methylamino]acetyl]amino]propyl]-4-hydroxy-2-methoxyoxane-2-carboxylate
• 化学式: C₂₇H₃₂N₃O₁₀*Na
• 分子量: 581.555
• InChiKey: MSUNCONYFRDTEK-RMHWWQBPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.44
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  207
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-氨基乙基联苯 在 三乙胺 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 sodium (methyl 5-acetamido-3,5,9-trideoxy-9-(4-phenylbenzyloxamido)-D-glycero-α-D-galacto-2-nonulopyranosid)onate
  参考文献：
  名称：

  Synthesis and biological evaluation of 9- N -oxamyl sialosides as Siglec-7 ligands

  摘要：

  Siglecs (sialic acid recognizing immunoglobulin like lectins) are a family of lectins with specificity for sialic acid containing carbohydrates. Synthetic sialic acid derivatives with high affinity proved useful to unravel the biological role of the ligand binding domain, although many of their functions in immunity remain unknown. Here we present design, synthesis, affinity evaluation and molecular modeling of novel 9-N-oxamoyl modified sialosides as Siglec-7 ligands. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.06.069