2-(3-(4-(2,6-dimethoxy-4-(3-(3,4,5-trimethoxyphenyl)isoxazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one | 1272644-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(3-(4-(2,6-dimethoxy-4-(3-(3,4,5-trimethoxyphenyl)isoxazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
• 英文别名: 2-[3-[4-[2,6-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]phenoxy]butoxy]-4-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
• CAS: 1272644-91-3
• 化学式: C₃₉H₄₁N₃O₁₀
• 分子量: 711.769
• InChiKey: RPFGGXZJZSLNFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  52
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛肟 在 sodium hypochlorite 、 四丁基氟化铵 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 51.0h， 生成 2-(3-(4-(2,6-dimethoxy-4-(3-(3,4,5-trimethoxyphenyl)isoxazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
  参考文献：
  名称：

  Synthesis and biological evaluation of 3,5-diaryl isoxazoline/isoxazole linked 2,3-dihydroquinazolinone hybrids as anticancer agents

  摘要：

  A series of new 3,5-diaryl isoxazoline/isoxazole linked 2,3-dihydro quinazolinone hybrids with different linker architectures have been designed and synthesized. These compounds have been evaluated for their anticancer activity. One of the compounds 4c amongst this series has shown promising anticancer activity. Further some detailed biological assays relating to the cell cycle aspects and tubulin depolymerization activity have been examined with a view to understand the mechanism of action of this conjugate. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.12.004

文献信息

• Synthesis and biological evaluation of 3,5-diaryl isoxazoline/isoxazole linked 2,3-dihydroquinazolinone hybrids as anticancer agents
  作者：Ahmed Kamal、E. Vijaya Bharathi、J. Surendranadha Reddy、M. Janaki Ramaiah、D. Dastagiri、M. Kashi Reddy、A. Viswanath、T. Lakshminarayan Reddy、T. Basha Shaik、S.N.C.V.L. Pushpavalli、Manika Pal Bhadra

  DOI：10.1016/j.ejmech.2010.12.004

  日期：2011.2

  A series of new 3,5-diaryl isoxazoline/isoxazole linked 2,3-dihydro quinazolinone hybrids with different linker architectures have been designed and synthesized. These compounds have been evaluated for their anticancer activity. One of the compounds 4c amongst this series has shown promising anticancer activity. Further some detailed biological assays relating to the cell cycle aspects and tubulin depolymerization activity have been examined with a view to understand the mechanism of action of this conjugate. (C) 2010 Elsevier Masson SAS. All rights reserved.