N-{3-Fluoro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[2-(aminomethyl)-1,3-thiazol-4-yl]-4-quinazolinamine | 1101784-08-0

• 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-Fluoro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[2-(aminomethyl)-1,3-thiazol-4-yl]-4-quinazolinamine
• 英文别名: 6-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
• CAS: 1101784-08-0
• 化学式: C₂₅H₁₉F₂N₅OS
• 分子量: 475.522
• InChiKey: ABQQLHFGDSJHTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Heterocyclic compounds
  申请人：——

  公开号：US20020147205A1

  公开（公告）日：2002-10-10

  The present invention relates to substituted heteroaromatic compounds, methods for their preparation, pharmaceutical compositions containing them and their use in medicine. Specifically, the invention relates to quinazoline derivatives useful in treating disorders mediated by protein tyrosine kinase activity, in particular erbB-2 and/or EGFR activity.

  本发明涉及替代杂环芳香化合物，其制备方法，包含它们的制药组合物以及它们在医学上的用途。具体而言，本发明涉及喹唑啉衍生物，用于治疗由蛋白酪氨酸激酶活性介导的紊乱，特别是erbB-2和/或EGFR活性。
• HETEROCYCLIC COMPOUNDS
  申请人：CARTER Clive Malcolm

  公开号：US20070238875A1

  公开（公告）日：2007-10-11

  A process for the preparation of a compound of formula (I) comprising the steps: (a) reacting a compound of formula (II) wherein L and L′ are suitable leaving groups, with a compound of formula (III) UNH 2 (III) to prepare a compound of formula (IV) and subsequently (b) substituting the group R 1 by replacement of the leaving group L′.

  一种制备化合物(I)的方法，包括以下步骤：（a）将式为(II)的化合物与式为(III)的化合物UNH2(III)反应，其中L和L'是适当的离去基团，以制备式为(IV)的化合物；随后(b)通过替换离去基团L'来取代基团R1。
• BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS
  申请人：GlaxoSmithKline LLC

  公开号：US20150065527A1

  公开（公告）日：2015-03-05

  A pharmaceutical formulation comprising the compound of formula

  一种药物配方，其中包含化学式的化合物。
• Bicyclic Heteroaromatic Compounds As Protein Tyrosine Kinase Inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US20130310562A1

  公开（公告）日：2013-11-21

  A pharmaceutical formulation comprising the compound of formula

  一种药物配方，包含公式的化合物。
• Quninazoline and pyridopyrmidine derivatives
  申请人：Glaxo Group Limited

  公开号：EP1454907A1

  公开（公告）日：2004-09-08

  Compounds of formulae (IV) and (VIII) are disclosed, as are methods for their preparation: wherein Y' is CL' and V' is N; or Y' is CL' and V' is CR2; and L' is a suitable leaving group; Y" is CT and V" is N; or Y" is CT and V" is CR2; T is an appropriately functionalised group; R2 is hydrogen, C1-4 alkoxy or halo; R3 is selected from a group comprising benzyl, halo-, dihalo- and trihalobenzyl, benzoyl, pyridylmethyl, pyridylmethoxy, phenoxy, benzyloxy, halo-, dihalo- and trihalobenzyloxy and benzenesulphonyl; R4 is halo or C1-4 alkoxy or is not present; wherein either (a) R3 represents 3-fluorobenzyloxy; and/or (b) R4 is selected from halo and is substituted in the 3-position of the phenyl ring; and halo represents fluoro, chloro or bromo. The compounds are intermediates in the preparation of bicyclic heteroaromatic compounds, which are protein tyrosine kinase inhibitors useful in the treatment of inter alia cancer and malignant tumours.

  公开了式 (IV) 和 (VIII) 的化合物及其制备方法： 其中 Y'是 CL'，V'是 N；或 Y'是 CL'，V'是 CR2； L' 是合适的离去基团； Y "是CT，V "是N；或Y "是CT，V "是CR2； T 是适当官能化的基团； R2 是氢、C1-4 烷氧基或卤代； R3 选自包括苄基、卤代、二卤代和三卤代苄基、苯甲酰基、吡啶甲基、吡啶甲氧基、苯氧基、苄氧基、卤代、二卤代和三卤代苄氧基以及苯磺酰基的基团； R4 为卤代或 C1-4 烷氧基或不存在； 其中(a)R3 代表 3-氟苄氧基；和/或(b)R4 选自卤代并在苯环的 3 位被取代； 卤代物代表氟、氯或溴。 这些化合物是制备双环杂芳香族化合物的中间体，双环杂芳香族化合物是蛋白酪氨酸激酶抑制剂，可用于治疗癌症和恶性肿瘤等。