1-<<2-(dimethylamino)ethyl>amino>-9H-thioxanthen-9-one | 19058-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: 1-<<2-(dimethylamino)ethyl>amino>-9H-thioxanthen-9-one
• 英文别名: 1-(2-dimethylamino-ethylamino)-thioxanthen-9-one；1-[[2-(dimethylamino)ethyl]amino ]thioxanthen-9-one；1-[[2-(dimethylamino)ethyl]amino]thioxanthen-9-one；1-[2-(dimethylamino)ethylamino]thioxanthen-9-one
• CAS: 19058-08-3
• 化学式: C₁₇H₁₈N₂OS
• 分子量: 298.409
• InChiKey: RUBNNOCHPWAMRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 1-<<2-(dimethylamino)ethyl>amino>-9H-thioxanthen-9-one 在 溶剂黄146 作用下， 反应 3.0h， 以69%的产率得到1-[[2-(dimethylamino)ethyl]amino]-4-(hydroxymethyl)-thioxanthen-9-one
  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
• 作为产物：
  描述：

  3-氯-9H-噻吨-9-酮 、 N,N-二甲基乙二胺 在 吡啶 作用下， 生成 1-<<2-(dimethylamino)ethyl>amino>-9H-thioxanthen-9-one
  参考文献：
  名称：

  Thioxanthenone antitumor agents

  摘要：

  1-[[(二烷基氨基)烷基]氨基]-4-取代-噻吨-9-酮被披露为抗肿瘤剂。还披露了含有噻吨酮的制剂以及使用噻吨酮治疗哺乳动物肿瘤和癌症的方法。

  公开号：

  US05346917A1

文献信息

• US5346917A
  申请人：——

  公开号：US5346917A

  公开（公告）日：1994-09-13
• US5380749A
  申请人：——

  公开号：US5380749A

  公开（公告）日：1995-01-10
• Thioxanthenone antitumor agents
  申请人：Sterling Winthrop Inc.

  公开号：US05346917A1

  公开（公告）日：1994-09-13

  1-[[(Dialkylamino)alkyl]amino]-4-substituted-thioxanthen-9-ones are disclosed as antitumor agents. Compositions containing the thioxanthenones and methods of treating tumors and cancer in mammals with the thioxanthenones are also disclosed.

  1-[[(二烷基氨基)烷基]氨基]-4-取代-噻吨-9-酮被披露为抗肿瘤剂。还披露了含有噻吨酮的制剂以及使用噻吨酮治疗哺乳动物肿瘤和癌症的方法。
• 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.