cladoquinazoline | 1443239-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: cladoquinazoline
• 英文别名: (1R,4R)-4-[[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
• CAS: 1443239-50-6
• 化学式: C₂₃H₂₂N₄O₄
• 分子量: 418.452
• InChiKey: AXQQCFJZSGWPAR-PMAPCBKXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cladoquinazoline 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 epi-cladoquinazoline
  参考文献：
  名称：

  Antiviral Alkaloids Produced by the Mangrove-Derived Fungus Cladosporium sp. PJX-41

  摘要：

  Six new indole alkaloids including five new glyantrypine derivatives (1, 2a, 2b, 3, 4) and a new pyrazinoquinazoline derivative (5), together with eight known alkaloids (6-13), were isolated from the culture of the mangrove-derived fungus Cladosporium sp. PJX-41. Their structures were elucidated primarily by spectroscopic and physical data. The absolute configurations of compounds 1-9 were established on the basis of CD, NOESY data, and single-crystal X-ray diffraction analysis. Compounds 2b, 5, 7-9, and 11 exhibited significant activities against influenza virus A (H1N1), with IC50 values of 82-89 mu M.

  DOI：

  10.1021/np400200k
• 作为产物：
  描述：

  epi-cladoquinazoline 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 cladoquinazoline
  参考文献：
  名称：

  Antiviral Alkaloids Produced by the Mangrove-Derived Fungus Cladosporium sp. PJX-41

  摘要：

  Six new indole alkaloids including five new glyantrypine derivatives (1, 2a, 2b, 3, 4) and a new pyrazinoquinazoline derivative (5), together with eight known alkaloids (6-13), were isolated from the culture of the mangrove-derived fungus Cladosporium sp. PJX-41. Their structures were elucidated primarily by spectroscopic and physical data. The absolute configurations of compounds 1-9 were established on the basis of CD, NOESY data, and single-crystal X-ray diffraction analysis. Compounds 2b, 5, 7-9, and 11 exhibited significant activities against influenza virus A (H1N1), with IC50 values of 82-89 mu M.

  DOI：

  10.1021/np400200k