10-(tert-butyldimethylsilyloxy)-8-hydroxy-5-methoxy-2-methyl-1-oxabenzo[a]anthracene-4,7,12-trione | 1204476-38-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 10-(tert-butyldimethylsilyloxy)-8-hydroxy-5-methoxy-2-methyl-1-oxabenzo[a]anthracene-4,7,12-trione
• 英文别名: 10-[Tert-butyl(dimethyl)silyl]oxy-8-hydroxy-5-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
• CAS: 1204476-38-9
• 化学式: C₂₅H₂₆O₇Si
• 分子量: 466.563
• InChiKey: TYAQCGDXXCOXQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.98
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  10-(tert-butyldimethylsilyloxy)-8-hydroxy-5-methoxy-2-methyl-1-oxabenzo[a]anthracene-4,7,12-trione 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis and Biological Activities of Topopyrones

  摘要：

  Structure-activity studies were employed to investigate the stabilization of DNA-topoisomerases I and II covalent binary complexes by topopyrone analogues. The synthesis of five new topopyrone derivatives and study of their ability to stabilize DNA topoisomerase I and DNA-topoisomerase II covalent binary complexes are described. The biochemical assays suggest that the orientation of the fused 1,4-pyrone ring and halogen substituents contribute importantly to the overall potency of the topopyrones as topoisomerase poisons.

  DOI：

  10.1021/np200777z
• 作为产物：
  描述：

  1-(6-chloro-1-hydroxy-3,5,8-trimethoxynaphthalen-2-yl)ethan-1-one 在 吡啶 、 ammonium cerium (IV) nitrate 、 sodium hydride 、 三氟乙酸 作用下， 以 水 、 乙腈 、 mineral oil 、 苯 为溶剂， 反应 20.25h， 生成 10-(tert-butyldimethylsilyloxy)-8-hydroxy-5-methoxy-2-methyl-1-oxabenzo[a]anthracene-4,7,12-trione
  参考文献：
  名称：

  Synthesis and Biological Activities of Topopyrones

  摘要：

  Structure-activity studies were employed to investigate the stabilization of DNA-topoisomerases I and II covalent binary complexes by topopyrone analogues. The synthesis of five new topopyrone derivatives and study of their ability to stabilize DNA topoisomerase I and DNA-topoisomerase II covalent binary complexes are described. The biochemical assays suggest that the orientation of the fused 1,4-pyrone ring and halogen substituents contribute importantly to the overall potency of the topopyrones as topoisomerase poisons.

  DOI：

  10.1021/np200777z