2,2-Dimethyl-propionic acid 7-methoxy-4-oxo-5-(tetrahydro-furan-3-yloxy)-4H-quinazolin-3-ylmethyl ester | 525593-04-8

• 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: 2,2-Dimethyl-propionic acid 7-methoxy-4-oxo-5-(tetrahydro-furan-3-yloxy)-4H-quinazolin-3-ylmethyl ester
• 英文别名: [7-Methoxy-4-oxo-5-(oxolan-3-yloxy)quinazolin-3-yl]methyl 2,2-dimethylpropanoate
• CAS: 525593-04-8
• 化学式: C₁₉H₂₄N₂O₆
• 分子量: 376.409
• InChiKey: CAZMIVVVXPXJBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-propionic acid 7-methoxy-4-oxo-5-(tetrahydro-furan-3-yloxy)-4H-quinazolin-3-ylmethyl ester 在 氨 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 生成 4-Chloro-7-methoxy-5-(tetrahydro-furan-3-yloxy)-quinazoline
  参考文献：
  名称：

  Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket

  摘要：

  A series of novel C-5 substituted anilinoquinazolines, selected on the basis of docking experiments and overlays with ATP in the active site of EGFR tyrosine kinase, have been prepared and found to be potent inhibitors. In vivo pharmacokinetics and disease model activity are discussed. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.028
• 作为产物：
  描述：

  tert-butyl [(5-hydroxy-7-methoxy-4-oxoquinazolin-3(4H)-yl)-methyl]carbamate 、 3-羟基四氢呋喃 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 生成 2,2-Dimethyl-propionic acid 7-methoxy-4-oxo-5-(tetrahydro-furan-3-yloxy)-4H-quinazolin-3-ylmethyl ester
  参考文献：
  名称：

  Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket

  摘要：

  A series of novel C-5 substituted anilinoquinazolines, selected on the basis of docking experiments and overlays with ATP in the active site of EGFR tyrosine kinase, have been prepared and found to be potent inhibitors. In vivo pharmacokinetics and disease model activity are discussed. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.028

文献信息

• Quinazoline derivatives as antitumor agents
  申请人：Hennequin Francois Andre Laurent

  公开号：US20050054662A1

  公开（公告）日：2005-03-10

  The invention concerns quinazoline derivatives of Formula (I); wherein each of Q 1 , Q 2 , Z, R 1 , R 2 , R 3 , and m have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of tumours which are sensitive to inhibition of erbB receptor tyrosin kinases.

  该发明涉及公式（I）的喹唑啉衍生物；其中Q1、Q2、Z、R1、R2、R3和m中的每一个都具有描述中定义的任何含义；它们的制备过程，包含它们的制药组合物以及它们在制造对erbB受体酪氨酸激酶抑制敏感的肿瘤的预防或治疗药物中的使用。
• QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS
  申请人：AstraZeneca AB

  公开号：EP1444211A2

  公开（公告）日：2004-08-11
• EP1444211B1
  申请人：——

  公开号：EP1444211B1

  公开（公告）日：2009-01-21
• [EN] QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS<br/>[FR] DERIVES DE LA QUINAZOLINE, AGENTS ANTI-TUMORAUX
  申请人：ASTRAZENECA AB

  公开号：WO2003040109A2

  公开（公告）日：2003-05-15

  The invention concerns quinazoline derivatives of Formula (I); wherein each of Q?1, Q2, Z, R1, R2, R3¿, L and m have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of tumours which are sensitive to inhibition of erbB receptor tyrosine kinases.