蒽醌(1,3-苯并噻唑-2-羰基)肟 | 1033234-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 蒽醌(1,3-苯并噻唑-2-羰基)肟
• 英文名称: anthraquinone (1,3-benzothiazole-2-carbonyl)oxime
• 英文别名: [(10-Oxoanthracen-9-ylidene)amino] 1,3-benzothiazole-2-carboxylate；[(10-oxoanthracen-9-ylidene)amino] 1,3-benzothiazole-2-carboxylate
• CAS: 1033234-86-4
• 化学式: C₂₂H₁₂N₂O₃S
• 分子量: 384.415
• InChiKey: MMGHMBUVJKMXSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,5-二甲基-1-吡咯啉-N-氧化物 、 蒽醌(1,3-苯并噻唑-2-羰基)肟 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Photo-induced DNA cleavage by (heterocyclo)carbonyl oxime esters of anthraquinone

  摘要：

  Various (heterocyclo)carbonyl mono-oxime esters of anthraquinone were synthesized, which exhibited an ability for DNA cleavage upon UV irradiation. Their structure-activity relationship was established, in which the most potent compound was anthraquinone O-9-(1,3-benzothiazole-2-carbonyl)oxime (4j). It can produce radical species and nick DNA at the concentration as low as 1.0 mu M. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.03.056
• 作为产物：
  描述：

  1,3-苯并噻唑-2-羰酰氯 、 10-nitrosoanthracen-9-ol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以66%的产率得到蒽醌(1,3-苯并噻唑-2-羰基)肟
  参考文献：
  名称：

  Photo-induced DNA cleavage by (heterocyclo)carbonyl oxime esters of anthraquinone

  摘要：

  Various (heterocyclo)carbonyl mono-oxime esters of anthraquinone were synthesized, which exhibited an ability for DNA cleavage upon UV irradiation. Their structure-activity relationship was established, in which the most potent compound was anthraquinone O-9-(1,3-benzothiazole-2-carbonyl)oxime (4j). It can produce radical species and nick DNA at the concentration as low as 1.0 mu M. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.03.056