| 153253-36-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 153253-36-2
• 化学式: C₃₂H₄₉NO₁₈
• 分子量: 735.737
• InChiKey: PPTISGADBCMPRS-TZDACTGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  51.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  247.04
• 氢给体数：
  1.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  、 Fmoc-Glu(OSu)-OtBu 在 三乙胺 作用下， 以 氯仿 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  Novel trivalent anti-influenza reagent

  摘要：

  We designed and synthesized novel trivalent anti-influenza reagents. Sialyllactose was located at the terminal of each valence which aimed to block each receptor-binding site of the hemagglutinin (HA) trimer on the surface of the virus. Structural analyses were carried out with a model which was constructed with a computer simulation. A previously reported cyclic glycopeptide blocker [Ohta, T.; Miura, N.; Fujitani, N.; Nakajima, F.; Niikura, K.; Sadamoto, R.; Guo, C.-T.; Suzuki, T.; Suzuki, Y.; Monde, K.; Nishimura, S.-I. Angew. Chem. Int. Ed., 2003, 42, 5186] bound to the HA in the model. The analyses suggest that the glutamine residue in the cyclic peptide bearing Neu5A alpha 2,3Gal beta 1,4Glc trisaccharide via a linker interacts with the Gln189 in HA through hydrogen bonding. The present anti-influenza reagents likely interact with a glutamine residue included in the vicinity of Gln189. A plague reduction assay of the influenza virus, A/PR/8/1934 (H1N1),was performed in MDCK cells to evaluate for the synthesized compounds to inhibit viral replication. One of the compounds showed approximately 85% inhibition at the concentration of 400 mu M at 4 degrees C. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.060
• 作为产物：
  描述：

  1-(6'-benzyloxycarbonyl)aminohexyl-2,2',3,3',4,4',6,6'-octa-O-acetyl-D-lactose 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以95%的产率得到
  参考文献：
  名称：

  WO2006/104530

  摘要：

  公开号：