N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-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-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
• 英文别名: N-(4-phenylmethoxyphenyl)-6-prop-2-enoxyquinazolin-4-amine
• 化学式: C₂₄H₂₁N₃O₂
• 分子量: 383.45
• InChiKey: PNZSTSKDYDRMIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  56.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-羟基-4-喹唑酮 在 吡啶 、 氯化亚砜 、 氨 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
  参考文献：
  名称：

  Synthesis and SAR of potent EGFR/erbB2 dual inhibitors

  摘要：

  A series of 6-alkoxy-4-anilinoquinazoline compounds was prepared and evaluated for in vitro inhibition of the erbB2 and EGFR kinase activity. The IC50 values of the best compounds were below 0.10 uM. Further, several of these compounds inhibit the growth of erbB2 and EGFR over-expressing tumor cell lines at concentrations below I uM. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.010

文献信息

• Synthesis and SAR of potent EGFR/erbB2 dual inhibitors
  作者：Yue-Mei Zhang、Stuart Cockerill、Stephen B. Guntrip、David Rusnak、Kathryn Smith、Dana Vanderwall、Edgar Wood、Karen Lackey

  DOI：10.1016/j.bmcl.2003.10.010

  日期：2004.1

  A series of 6-alkoxy-4-anilinoquinazoline compounds was prepared and evaluated for in vitro inhibition of the erbB2 and EGFR kinase activity. The IC50 values of the best compounds were below 0.10 uM. Further, several of these compounds inhibit the growth of erbB2 and EGFR over-expressing tumor cell lines at concentrations below I uM. (C) 2003 Elsevier Ltd. All rights reserved.