| 1397716-43-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• CAS: 1397716-43-6
• 化学式: C₄₆H₆₆N₆O₁₅
• 分子量: 943.061
• InChiKey: HPYWXCJJIMRPSM-BEBHLTIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.71
• 重原子数：
  67.0
• 可旋转键数：
  19.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  258.0
• 氢给体数：
  5.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  在 吗啉 、 四(三苯基膦)钯 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 5.5h， 生成
  参考文献：
  名称：

  Enhanced Anti-influenza Agents Conjugated with Anti-inflammatory Activity

  摘要：

  Influenza therapy with a single targeted compound is often limited in efficacy due to the rapidly developed drug resistance. Moreover, the uncontrolled virus-induced cytokines could cause the high mortality of human infected by H5N1 avian influenza virus. In this study, we explored the novel dual-targeted bifunctional anti-influenza drugs formed by conjugation with anti-inflammatory agents. In particular, the caffeic acid (CA)-bearing zanamivir (ZA) conjugates ZA-7-CA (1) and ZA-7-CA-amide (7) showed simultaneous inhibition of influenza virus neuraminidase and suppression of pro-inflammatory cytokines. These ZA conjugates provided remarkable protection of cells and mice against influenza infections. Intranasal administration of low dosage (<1.2 mu mol/kg/day) of ZA conjugates exhibited much greater effect than the combination therapy with ZA and the anti-inflammatory agents in protection of the lethally infected mice by H1N1 or H5N1 influenza viruses.

  DOI：

  10.1021/jm3009844
• 作为产物：
  描述：

  ethyl 4-acetamido-3-[2,3-bis(tert-butoxycarbonyl)guanidino]-5-(1,2,3-triacetoxy)propyl-(6-oxacyclohex-1-ene)carboxylate 在 4-二甲氨基吡啶 、 sodium ethanolate 、 对甲苯磺酸 、 三乙胺 作用下， 以 吡啶 、 乙醇 、 丙酮 、 乙腈 为溶剂， 反应 31.0h， 生成
  参考文献：
  名称：

  Enhanced Anti-influenza Agents Conjugated with Anti-inflammatory Activity

  摘要：

  Influenza therapy with a single targeted compound is often limited in efficacy due to the rapidly developed drug resistance. Moreover, the uncontrolled virus-induced cytokines could cause the high mortality of human infected by H5N1 avian influenza virus. In this study, we explored the novel dual-targeted bifunctional anti-influenza drugs formed by conjugation with anti-inflammatory agents. In particular, the caffeic acid (CA)-bearing zanamivir (ZA) conjugates ZA-7-CA (1) and ZA-7-CA-amide (7) showed simultaneous inhibition of influenza virus neuraminidase and suppression of pro-inflammatory cytokines. These ZA conjugates provided remarkable protection of cells and mice against influenza infections. Intranasal administration of low dosage (<1.2 mu mol/kg/day) of ZA conjugates exhibited much greater effect than the combination therapy with ZA and the anti-inflammatory agents in protection of the lethally infected mice by H1N1 or H5N1 influenza viruses.

  DOI：

  10.1021/jm3009844