4-[(3-Chloro-4-fluoro-phenyl)amino]-6-{[2-(diethoxyphosphoryl)-1-oxo-ethyl]amino}-7-cyclopropylmethoxy-quinazoline | 365532-31-6

• 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-fluoro-phenyl)amino]-6-{[2-(diethoxyphosphoryl)-1-oxo-ethyl]amino}-7-cyclopropylmethoxy-quinazoline
• 英文别名: 4-[(3-chloro-4-fluorophenyl)amino]-6-({[(diethoxyphosphoryl)methyl]carbonyl}amino)-7-cyclopropylmethoxyquinazoline；4-[(3-chloro-4-fluoro-phenyl)amino]-6-[(diethoxy-phosphoryl)-acetylamino]-7-cyclopropylmethoxy-quinazoline；N-[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-2-diethoxyphosphorylacetamide
• CAS: 365532-31-6
• 化学式: C₂₄H₂₇ClFN₄O₅P
• 分子量: 536.927
• InChiKey: QHMJDNOKIVXTMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-[(3-Chloro-4-fluoro-phenyl)amino]-6-{[2-(diethoxyphosphoryl)-1-oxo-ethyl]amino}-7-cyclopropylmethoxy-quinazoline 、 1-叔丁氧羰基哌啶-4-甲醛 在 lithium chloride 作用下， 以 四氢呋喃 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 为溶剂， 生成 4-[(3-chloro-4-fluorophenyl)amino]-6-({3-[1-(tert-butyloxycarbonyl)piperidin-4-yl]-1-oxo-2-propen-1-yl}amino)-7-cyclopropylmethoxyquinazoline
  参考文献：
  名称：

  Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them

  摘要：

  通用公式1的双环杂环化合物，其中：R至Rd，A至C和X如本文所定义，其互变异构体、立体异构体及其盐，特别是其与无机或有机酸或碱形成的生理上可接受的盐，具有有价值的药理特性，特别是对由酪氨酸激酶介导的信号传导具有抑制作用，用于治疗疾病，特别是肿瘤性疾病、肺部和呼吸道疾病的疾病，以及其制备。

  公开号：

  US20010044435A1
• 作为产物：
  描述：

  二乙基磷乙酸 、 6-amino-4-[(3-chloro-4-fluoro-phenyl)amino]-7-cyclopropylmethoxy-quinazoline 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.0h， 以64%的产率得到4-[(3-Chloro-4-fluoro-phenyl)amino]-6-{[2-(diethoxyphosphoryl)-1-oxo-ethyl]amino}-7-cyclopropylmethoxy-quinazoline
  参考文献：
  名称：

  4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases

  摘要：

  本发明涉及具有一般公式二环杂环化合物，其中R a 至R d ，A至G和X定义如权利要求1所述，包括其互变异构体、立体异构体及盐，特别是具有有价值的药理性质、特别是对由酪氨酸激酶介导的信号转导具有抑制效果的、与无机或有机酸或碱形成的生理可接受盐，用于治疗疾病，特别是肿瘤疾病、肺和呼吸道疾病，及其制备方法。

  公开号：

  US06972288B1

文献信息

• Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them
  申请人：Himmelsbach Frank

  公开号：US20050107358A1

  公开（公告）日：2005-05-19

  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.

  本发明涉及一般式的双环杂环化合物 其中 R a ，R b ，R c ，R d ，R e 和X的定义如权利要求书中所述， 其互变异构体、立体异构体、它们的混合物及其盐，特别是其与无机或有机酸形成的生理上可接受的盐，具有有价值的药理特性，特别是对酪氨酸激酶介导的信号传导具有抑制作用，其用于治疗疾病，特别是肿瘤性疾病和良性前列腺增生（BPH），肺部和呼吸道疾病，以及其制备。
• 4-amino- quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP2298746A1

  公开（公告）日：2011-03-23

  The present invention relates to bicyclic heterocycles of general formula wherein Ra to Rd, A to G and X are defined as in claim 1, the tautomers, the stereoisomers and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases which have valuable pharmacological properties, particularly an inhibiting effect on signal transduction mediated by tyrosine kinases, their use for treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract, and the preparation thereof.

  本发明涉及通式如下的双环杂环 其中 Ra 至 Rd、A 至 G 和 X 的定义如权利要求 1 所述；它们的同分异构体、立体异构体和盐，特别是它们与无机酸或有机酸或碱的生理上可接受的盐，这些盐具有重要的药理特性，特别是对酪氨酸激酶介导的信号转导有抑制作用；它们可用于治疗疾病，特别是肿瘤疾病、肺部和呼吸道疾病；以及它们的制备方法。
• 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES
  申请人：Boehringer Ingelheim Pharma KG

  公开号：EP1157011A1

  公开（公告）日：2001-11-28
• BICYCLISCHE HETEROCYCLEN, DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL, DEREN VERWENDUNG UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：Boehringer Ingelheim Pharma KG

  公开号：EP1280798A1

  公开（公告）日：2003-02-05
• 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.