1-<<2-(diethylamino)ethyl>amino>-7-hydroxy-4-methyl-9H-xanthen-9-one hydroiodide | 86455-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-<<2-(diethylamino)ethyl>amino>-7-hydroxy-4-methyl-9H-xanthen-9-one hydroiodide
• 英文别名: 1-[2-(diethylamino)ethylamino]-7-hydroxy-4-methylxanthen-9-one;hydroiodide
• CAS: 86455-94-9
• 化学式: C₂₀H₂₄N₂O₃*HI
• 分子量: 468.335
• InChiKey: RXKFDVHYKSDFIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  61.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-chloro-7-methoxy-4-methyl-9H-xanthen-9-one 在 氢碘酸 作用下， 反应 2.5h， 生成 1-<<2-(diethylamino)ethyl>amino>-7-hydroxy-4-methyl-9H-xanthen-9-one hydroiodide
  参考文献：
  名称：

  Analogs of hycanthone and lucanthone as antitumor agents

  摘要：

  Hycanthone analogues (5 and 6) containing 7-substituted hydroxyl groups were prepared and evaluated as antitumor agents. These compounds were significantly more active than the corresponding unsubstituted derivatives. The 7-hydroxylated 4-(hydroxymethyl)-9H-xanthen-9-ones, 11 and 12, were also active antitumor agents. However, the 7-hydroxy-9H-xanthen-9-one counterparts of the 7-hydroxylucanthones were totally devoid of antitumor activity. Results obtained thus far are consistent with the hypothesis that 4-hydroxymethyl substituents in the 9H-xanthen-9-one and 9H-thioxanthen-9-one series are required for antitumor activity.

  DOI：

  10.1021/jm00363a007