| 1610048-86-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1610048-86-6
• 化学式: C₁₄H₂₇N₃O₈S
• 分子量: 397.45
• InChiKey: CEMDUVJBILPAGU-MBJXGIAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  26.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  155.6
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 methyl 2-chloro-4,7,8,9-tetra-O-acetyl-N-acetyl-β-D-neuraminate 在 四丁基硫酸氢铵 、 sodium carbonate 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以0.202 g的产率得到2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethyl S-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonate)-(2→6)-6-thio-β-D-galactopyranoside
  参考文献：
  名称：

  Synthesis of a cluster-forming sialylthio-d-galactose fullerene conjugate and evaluation of its interaction with influenza virus hemagglutinin and neuraminidase

  摘要：

  In order to obtain self assembling, multivalent ligand for influenza virus hemagglutinin alpha-N-acetylneuraminyl-(2-6)-D-galactopyranose has been synthesized and bonded to a water soluble fullerene derivative using 1,3-dipolar cycloaddition click reaction. The aggregating amphiphilic compound did not inhibit the influenza virus hemagglutinin, but it proved to be an inhibitor of its neuraminidase with a 50% inhibitory concentration of 81 mu M. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.032
• 作为产物：
  描述：

  1,2,3,4-tetra-O-acetyl-6-S-acetyl-6-thio-β-D-galactopyranose 在 三氟化硼乙醚 、 sodium methylate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Synthesis of a cluster-forming sialylthio-d-galactose fullerene conjugate and evaluation of its interaction with influenza virus hemagglutinin and neuraminidase

  摘要：

  In order to obtain self assembling, multivalent ligand for influenza virus hemagglutinin alpha-N-acetylneuraminyl-(2-6)-D-galactopyranose has been synthesized and bonded to a water soluble fullerene derivative using 1,3-dipolar cycloaddition click reaction. The aggregating amphiphilic compound did not inhibit the influenza virus hemagglutinin, but it proved to be an inhibitor of its neuraminidase with a 50% inhibitory concentration of 81 mu M. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.032