4-deoxy-4-(4-phenyl-1,2,3-triazol-1-yl)Neu5Ac2en | 913265-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-deoxy-4-(4-phenyl-1,2,3-triazol-1-yl)Neu5Ac2en
• 英文别名: (2R,3R,4S)-3-acetamido-4-(4-phenyltriazol-1-yl)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
• CAS: 913265-85-7
• 化学式: C₁₉H₂₂N₄O₇
• 分子量: 418.406
• InChiKey: SDEQKRZVSOWXBW-QBBQCFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  methyl 5-acetamido-7,8,9-tri-O-acetyl-2,6-anhydro-3,4,5-trideoxy-4-(4-phenyl-[1,2,3]triazol-1-yl)-D-glycero-D-galacto-non-2-enonate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-deoxy-4-(4-phenyl-1,2,3-triazol-1-yl)Neu5Ac2en
  参考文献：
  名称：

  Syntheses of triazole-modified zanamivir analogues via click chemistry and anti-AIV activities

  摘要：

  Sixteen novel 4-triazole-modified zanamivir (1) analogues were synthesized using the click reactions, and their inhibitory activities against avian influenza virus (AIV, H5N1) were determined. Compound 3b exerts promising inhibitory activity with EC50 of 6.4 mu M, which is very close to that of zanamivir (EC50 = 2.8 mu M). Molecular modeling provided the information about the binding model between inhibitors and neuraminidase, which are in good agreement with inhibitory activities. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.047

文献信息

• [EN] ANTIVIRAL AGENTS AND USES THEREOF<br/>[FR] AGENTS ANTIVIRAUX ET LEURS UTILISATIONS
  申请人：UNIV GRIFFITH

  公开号：WO2016033660A1

  公开（公告）日：2016-03-10

  The present invention relates to compounds which are found to exhibit an antiviral effect. The compounds are modulators of the activity of the viral haemagglutinin and/or neuraminidase enzymes.

  本发明涉及一些化合物，这些化合物被发现具有抗病毒效果。这些化合物是病毒血凝素和/或神经氨酸酶酶活性的调节剂。
• Antiviral agents and uses thereof
  申请人：Griffith University

  公开号：US10028938B2

  公开（公告）日：2018-07-24

  The present invention relates to compounds which are found to exhibit an antiviral effect. The compounds are modulators of the activity of the viral haemagglutinin and/or neuraminidase enzymes.

  本发明涉及具有抗病毒作用的化合物。这些化合物是病毒血凝素和/或神经氨酸酶活性的调节剂。
• ANTIVIRAL AGENTS AND USES THEREOF
  申请人：Griffith University

  公开号：US20170290809A1

  公开（公告）日：2017-10-12

  The present invention relates to compounds which are found to exhibit an antiviral effect. The compounds are modulators of the activity of the viral haemagglutinin and/or neuraminidase enzymes.