1-((2-(二甲基氨基)乙基)氨基)-7-羟基-4-(羟甲基)-9H-呫吨-9-酮 | 86455-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 1-((2-(二甲基氨基)乙基)氨基)-7-羟基-4-(羟甲基)-9H-呫吨-9-酮
• 英文名称: 1-[[2-(Dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
• 英文别名: 1-{[2-(dimethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one；1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one；1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
• CAS: 86455-98-3
• 化学式: C₁₈H₂₀N₂O₄
• 分子量: 328.368
• InChiKey: BOTXZPXSICDQHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  82
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为产物：
  描述：

  NSC 354677 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以88%的产率得到1-((2-(二甲基氨基)乙基)氨基)-7-羟基-4-(羟甲基)-9H-呫吨-9-酮
  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

文献信息

• ARCHER, S.
  作者：ARCHER, S.

  DOI：——

  日期：——
• US4539412A
  申请人：——

  公开号：US4539412A

  公开（公告）日：1985-09-03
• Analogs of hycanthone and lucanthone as antitumor agents
  作者：Sydney Archer、Abdel Hadi Zayed、Rabindra Rej、Thomas A. Rugino

  DOI：10.1021/jm00363a007

  日期：1983.9

  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.