4-Chloro-5-(1-methylpiperidin-4-yloxy)quinazoline | 524953-52-4

• 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-Chloro-5-(1-methylpiperidin-4-yloxy)quinazoline
• 英文别名: 4-chloro-5-(1-methylpiperidin-4-yl)oxyquinazoline
• CAS: 524953-52-4
• 化学式: C₁₄H₁₆ClN₃O
• 分子量: 277.754
• InChiKey: RPLZSCXVKNXICA-UHFFFAOYSA-N

物化性质

• 沸点：
  412.7±45.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chloro-5-(1-methylpiperidin-4-yloxy)quinazoline 在 18-冠醚-6 、 potassium carbonate 作用下， 以 异丙醇 、 乙腈 为溶剂， 生成 [5-(1-Methyl-piperidin-4-yloxy)-quinazolin-4-yl]-[4-(pyridin-2-ylmethoxy)-phenyl]-amine
  参考文献：
  名称：

  5-Substituted 4-anilinoquinazolines as potent, selective and orally active inhibitors of erbB2 receptor tyrosine kinase

  摘要：

  Starting from a 6,7-substituted quinazoline lead 4, optimisation of 5-substituted quinazolines containing an extended aniline motif led to potent and selective inhibitors of erbB2 receptor tyrosine kinase, and a representative compound 12a inhibited tumour growth in a mouse xenograft model. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.068
• 作为产物：
  描述：

  5-氟喹啉-4-醇 在 sodium hydride 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 生成 4-Chloro-5-(1-methylpiperidin-4-yloxy)quinazoline
  参考文献：
  名称：

  5-Substituted 4-anilinoquinazolines as potent, selective and orally active inhibitors of erbB2 receptor tyrosine kinase

  摘要：

  Starting from a 6,7-substituted quinazoline lead 4, optimisation of 5-substituted quinazolines containing an extended aniline motif led to potent and selective inhibitors of erbB2 receptor tyrosine kinase, and a representative compound 12a inhibited tumour growth in a mouse xenograft model. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.068

文献信息

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

  公开号：US20050043336A1

  公开（公告）日：2005-02-24

  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的每个定义在说明中具有任何意义；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。
• QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS
  申请人：AstraZeneca AB

  公开号：EP1444210A1

  公开（公告）日：2004-08-11
• 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 QUINAZOLINE UTILISES EN TANT QU'AGENTS ANTITUMORAUX
  申请人：ASTRAZENECA AB

  公开号：WO2003040108A1

  公开（公告）日：2003-05-15

  The invention concerns quinazoline derivatives of Formula (I); wherein each of Q?1, Z, R1 and Q2¿ 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.