2-(4-(3-(2,6-dimethoxy-4-(5-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazol-3-yl)phenoxy)propoxy)-3-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one | 1227737-72-5

• 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-(4-(3-(2,6-dimethoxy-4-(5-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazol-3-yl)phenoxy)propoxy)-3-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
• 英文别名: 2-[4-(3-{2,6-Dimethoxy-4-[5-(3,4,5-trimethoxy-phenyl)-4,5-dihydro-isoxazol-3-yl]-phenoxy}-propoxy)-3-methoxy-phenyl]-2,3-dihydro-1H-quinazolin-4-one；2-[4-[3-[2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]propoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
• CAS: 1227737-72-5
• 化学式: C₃₈H₄₁N₃O₁₀
• 分子量: 699.758
• InChiKey: YAKRKRBAOUQFKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  51
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,4,5-trimethoxy styrene 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-(4-(3-(2,6-dimethoxy-4-(5-(3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazol-3-yl)phenoxy)propoxy)-3-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

• ISOXAZOLE/ISOXAZOLINE/COMBRETASTATIN LINKED DIHYDROQUINAZOLINONE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Kamal Ahmed

  公开号：US20120283439A1

  公开（公告）日：2012-11-08

  The present invention provides a compound of general formulae 3a-i to 6a-i, 7a-i to 10a-i, 12a-i to 15a-i, 16a-i to 19a-i, 21a-i to 24a-i, 25a-i to 28a-i, 30a-i to 33a-i, 34a-i to 37a-i and 39a-i to 42a-i, 43a-i to 46a-i useful as potential antitumour agents against human cancer cell lines and a process for the preparation thereof.

  本发明提供了通式3a-i至6a-i、7a-i至10a-i、12a-i至15a-i、16a-i至19a-i、21a-i至24a-i、25a-i至28a-i、30a-i至33a-i、34a-i至37a-i和39a-i至42a-i、43a-i至46a-i的化合物，它们可用作潜在的抗人类癌细胞系肿瘤药物，并提供了其制备方法。
• US8883809B2
  申请人：——

  公开号：US8883809B2

  公开（公告）日：2014-11-11