N-(3-bromophenyl)-6,7,8-trimethoxyquinazolin-4-amine

• 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: N-(3-bromophenyl)-6,7,8-trimethoxyquinazolin-4-amine
• 化学式: C₁₇H₁₆BrN₃O₃
• 分子量: 390.236
• InChiKey: DKGDRWNQVLEBEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氯-6,7,8-三甲氧基喹唑啉 、 间溴苯胺 以 异丙醇 为溶剂， 反应 0.17h， 以59%的产率得到N-(3-bromophenyl)-6,7,8-trimethoxyquinazolin-4-amine
  参考文献：
  名称：

  Synthesis and bioactivities of 6,7,8-trimethoxy-N-aryl-4-aminoquinazoline derivatives

  摘要：

  A series of 4-aminoquinazoline derivatives is prepared by the nucleophilic substitution reaction of 6,7,8-trimethoxy-4-chloroquinazoline and aryl amine. The structures of the compounds are confirmed by elemental analysis, IR, and H-1 NMR spectral data. The compounds are also evaluated for their ability to inhibit tumor cells PC3, A431, Beap-37, and BGC823 by MTT assays. Among them, 6b and 6e are found as potent inhibitors, with IC50 values ranging from 5.8 to 9.8 mu M, in vitro assay. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.006

文献信息

• Synthesis and biological activity of novel N-substituted 4-amino-6,7,8-trimethoxyquinazoline compounds
  作者：Gang Liu、Chunping Liu、Lin Sun、Rongjun Qu、Hou Chen、Chunnuan Ji

  DOI：10.1007/s10593-007-0196-5

  日期：2007.10
• Synthesis and bioactivities of 6,7,8-trimethoxy-N-aryl-4-aminoquinazoline derivatives
  作者：Gang Liu、De-Yu Hu、Lin-Hong Jin、Bao-An Song、Song Yang、Ping-Shen Liu、Pinaki S. Bhadury、Yao Ma、Hui Luo、Xian Zhou

  DOI：10.1016/j.bmc.2007.07.006

  日期：2007.10

  A series of 4-aminoquinazoline derivatives is prepared by the nucleophilic substitution reaction of 6,7,8-trimethoxy-4-chloroquinazoline and aryl amine. The structures of the compounds are confirmed by elemental analysis, IR, and H-1 NMR spectral data. The compounds are also evaluated for their ability to inhibit tumor cells PC3, A431, Beap-37, and BGC823 by MTT assays. Among them, 6b and 6e are found as potent inhibitors, with IC50 values ranging from 5.8 to 9.8 mu M, in vitro assay. (c) 2007 Elsevier Ltd. All rights reserved.