4-(4-amino-6,7-dimethoxyquinazolin-2-ylamino)-2-((dimethylamino)methyl)phenol | 955092-76-9

• 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: 4-(4-amino-6,7-dimethoxyquinazolin-2-ylamino)-2-((dimethylamino)methyl)phenol
• CAS: 955092-76-9
• 化学式: C₁₉H₂₃N₅O₃
• 分子量: 369.423
• InChiKey: NSSBJHSXUPJCNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  105.76
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-(4-amino-6,7-dimethoxyquinazolin-2-ylamino)-2-((dimethylamino)methyl)phenol 、 碘甲烷 以 乙腈 为溶剂， 反应 12.0h， 以93%的产率得到(5-(4-amino-6,7-dimethoxyquinazolin-2-ylamino)-2-hydroxyphenyl)-N,N,N-trimethylmethanaminium iodide
  参考文献：
  名称：

  Synthesis and biological activities of quinazoline derivatives with ortho-phenol-quaternary ammonium salt groups

  摘要：

  One phenol-quaternary ammonium salt derivative with a flexible linker and three derivatives with a quinazoline moiety are present. Their binding affinities for DNA are discussed and it is clearly demonstrated that this class of phenol-quaternary ammonium salt derivatives could inhibit DNA transcription effectively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.053
• 作为产物：
  描述：

  (N-{3-[(二乙氨基)甲基]-4-羟基苯基}乙酰胺 、 2-氯-4-氨基-6,7-二甲氧基喹唑啉 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以70%的产率得到4-(4-amino-6,7-dimethoxyquinazolin-2-ylamino)-2-((dimethylamino)methyl)phenol
  参考文献：
  名称：

  Synthesis and biological activities of quinazoline derivatives with ortho-phenol-quaternary ammonium salt groups

  摘要：

  One phenol-quaternary ammonium salt derivative with a flexible linker and three derivatives with a quinazoline moiety are present. Their binding affinities for DNA are discussed and it is clearly demonstrated that this class of phenol-quaternary ammonium salt derivatives could inhibit DNA transcription effectively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.053