4-[(3-chloro-4-fluorophenyl)amino]-6-{[4-(homomorpholin-4-yl)-1-oxo-2-buten-1-yl]amino}-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline | 749879-39-8

• 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: 4-[(3-chloro-4-fluorophenyl)amino]-6-{[4-(homomorpholin-4-yl)-1-oxo-2-buten-1-yl]amino}-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline
• 英文别名: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(1,4-oxazepan-4-yl)but-2-enamide
• CAS: 749879-39-8
• 化学式: C₂₇H₂₉ClFN₅O₄
• 分子量: 542.01
• InChiKey: HIAHZEQOOZMTAR-UJXFUWLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  97.8
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  {[4-((3-氯-4-氟苯基)氨基)-7-(((S)-四氢呋喃-3-氧基)-6-喹啉)氨基甲酰基]甲基}膦酸二乙酯 、 homomorpholin-4-yl-acetaldehyde-hydrochloride 在 氢氧化钾 、 lithium chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.25h， 以63%的产率得到4-[(3-chloro-4-fluorophenyl)amino]-6-{[4-(homomorpholin-4-yl)-1-oxo-2-buten-1-yl]amino}-7-[(S)-(tetrahydrofuran-3-yl)oxy]quinazoline
  参考文献：
  名称：

  [DE] BICYCLISCHE HETEROCYCLEN, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL, IHRE VERWENDUNG UND VERFAHREN ZU IHRER HERSTELLUNG
  [EN] BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF
  [FR] HETEROCYCLES BICYCLIQUES, MEDICAMENTS LES CONTENANT, LEUR UTILISATION ET LEURS PROCEDES DE PRODUCTION

  摘要：

  The present invention relates to bicyclic heterocycles of general formula (I), in which Ra, Rb, Rc, Rd, Re, and X are as defined in claim 1, their tautomers, their stereoisomers, their mixtures, and their salts, especially their physiologically acceptable salts with inorganic or organic acids, which have valuable pharmacological properties, especially an inhibitory effect on signal transduction mediated by tyrosine kinases, their use in the treatment of diseases, especially tumor diseases as well as benign prostatic hyperplasia (BPH), lung and respiratory diseases, and their production.

  公开号：

  WO2004074263A1

文献信息

• Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis
  申请人：BOEHRINGER INGELHEIM INTERNATIONAL GMBH

  公开号：EP2361626A1

  公开（公告）日：2011-08-31

  The present invention relates to a pharmaceutical combination for the treatment of diseases which involves cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis. The invention also relates to a method for the treatment of said diseases, comprising co-administration of effective amounts of specific active compounds and/or co-treatment with radiation therapy, in a ratio which provides an additive and synergistic effect, and to the combined use of these specific compounds and/or radiotherapy for the manufacture of corresponding pharmaceutical combination preparations.

  本发明涉及一种药物组合，用于治疗涉及骨髓瘤细胞增殖、迁移或凋亡或血管生成的疾病。本发明还涉及一种治疗上述疾病的方法，包括以提供相加和协同效应的比例联合给药有效量的特定活性化合物和/或联合放射治疗，以及联合使用这些特定化合物和/或放射治疗来制造相应的药物组合制剂。
• Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis
  申请人：BOEHRINGER INGELHEIM INTERNATIONAL GMBH

  公开号：EP2409705A1

  公开（公告）日：2012-01-25

  The present invention relates to a pharmaceutical combination for the treatment of diseases which involves cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis. The invention also relates to a method for the treatment of said diseases, comprising co-administration of effective amounts of specific active compounds and/or co-treatment with radiation therapy, in a ratio which provides an additive and synergistic effect, and to the combined use of these specific compounds and/or radiotherapy for the manufacture of corresponding pharmaceutical combination preparations.

  本发明涉及一种药物组合，用于治疗涉及骨髓瘤细胞增殖、迁移或凋亡或血管生成的疾病。本发明还涉及一种治疗上述疾病的方法，包括以提供相加和协同效应的比例联合给药有效量的特定活性化合物和/或联合放射治疗，以及联合使用这些特定化合物和/或放射治疗来制造相应的药物组合制剂。
• BICYCLISCHE HETEROCYCLEN, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL, IHRE VERWENDUNG UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP1597240B1

  公开（公告）日：2008-09-10
• Bicyclic heterocylces, pharmaceutical compositions containing these compounds, their use and processes for preparing them
  申请人：HIMMELSBACH Frank

  公开号：US20070185081A1

  公开（公告）日：2007-08-09

  The present invention relates to bicyclic heterocycles of general formula wherein R a , R b , R c , R d , R e and X are defined as in claim 1 , the tautomers, the stereoisomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids, which have valuable pharmacological properties, particularly an inhibitory effect on signal transduction mediated by tyrosine kinases, the use thereof for treating diseases, particularly tumoral diseases and benign prostatic hyperplasia (BPH), diseases of the lungs and respiratory tract, and the preparation thereof.
• COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS OR ANGIOGENESIS
  申请人：STEFANIC Martin Friedrich

  公开号：US20080254040A1

  公开（公告）日：2008-10-16

  The present invention relates to a pharmaceutical combination for the treatment of diseases which involves cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis. The invention also relates to a method for the treatment of said diseases, comprising co-administration of effective amounts of specific active compounds and/or co-treatment with radiation therapy, in a ratio which provides an additive and synergistic effect, and to the combined use of these specific compounds and/or radiotherapy for the manufacture of corresponding pharmaceutical combination preparations.