4-[(3-chloro-4-fluorophenyl)amino]-6-[(4-[N-(1,3-dioxolan-2-ylmethyl)-N-methylamino]-1-oxo-2-buten-1-yl)amino]-7-cyclopropylmethoxyquinazoline

• 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-[N-(1,3-dioxolan-2-ylmethyl)-N-methylamino]-1-oxo-2-buten-1-yl)amino]-7-cyclopropylmethoxyquinazoline
• 英文别名: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]-4-[1,3-dioxolan-2-ylmethyl(methyl)amino]but-2-enamide
• 化学式: C₂₇H₂₉ClFN₅O₄
• 分子量: 542.01
• InChiKey: PCJFYVJPOFXARK-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  11
• 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

文献信息

• Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them
  申请人：——

  公开号：US20020077330A1

  公开（公告）日：2002-06-20

  A compound of formula (I) 1 wherein: R a is a benzyl or 1-phenylethyl group or a phenyl group substituted by the groups R 1 and R 2 , wherein: R 1 is a hydrogen, fluorine, chlorine, or bromine atom, or a methyl, trifluoromethyl, cyano, or ethynyl group, and R 2 is a hydrogen or fluorine atom; R b is an R 3 O—CO—CH 2 —N—CH 2 —CH 2 —OH group optionally substituted at the methylene groups by 1 or 2 methyl or ethyl groups, wherein R 3 is a hydrogen atom or a C 1-4 -alkyl group, a 2-oxomorpholin-4-yl group optionally substituted by 1 or 2 methyl or ethyl groups, or a N-[(1,3-dioxolan-2-yl)methyl]methylamino group; R c is a hydrogen atom, or a methoxy, ethoxy, 2-methoxyethoxy, 2-ethoxyethoxy, cyclobutyloxy, cyclopentyloxy, cyclohexyloxy, cyclopropylmethoxy, cyclobutylmethoxy, cyclopentylmethoxy, cyclohexylmethoxy, tetrahydrofuran-3-yloxy, tetrahydropyran-3-yloxy, tetrahydropyran-4-yloxy, tetrahydrofuranylmethoxy, or tetrahydropyranylmethoxy group; and n is 1, 2, or 3, the tautomers, stereoisomers, and salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases which have valuable pharmacological properties, their use in the treatment of diseases, especially tumoral diseases and diseases of the lungs and airways, and the preparation thereof.

  式（I）1的化合物，其中：R是苄基或1-苯乙基基团或由基团R1和R2取代的苯基，其中：R1是氢、氟、氯或溴原子，或者是甲基、三氟甲基、氰基或乙炔基团，R2是氢或氟原子；Rb是一个R3O—CO—CH2—N— — —OH基团，该基团在亚甲基上可以选择性地取代1或2个甲基或乙基基团，其中R3是氢原子或C1-4烷基基团，或者是一个2-氧代吗啉-4-基团，该基团在1或2个甲基或乙基基团上可以选择性地取代，或者是一个N-[（1,3-二氧杂环己烷-2-基）甲基]甲基氨基基团；Rc是氢原子，或者是一个甲氧基、乙氧基、2-甲氧基乙氧基、2-乙氧基乙氧基、环丁氧基、环戊氧基、环己氧基、环丙基甲氧基、环丁基甲氧基、环戊基甲氧基、环己基甲氧基、四氢呋喃-3-基氧基、四氢吡喃-3-基氧基、四氢吡喃-4-基氧基、四氢呋喃基甲氧基或四氢吡喃基甲氧基基团；n为1、2或3，其互变异构体、立体异构体和盐，特别是具有有价值的药理学性质的无机或有机酸或碱的生理上可接受的盐，其在治疗疾病，特别是肿瘤性疾病和肺部及呼吸道疾病中的用途，以及其制备方法。
• 4-amino- quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases
  申请人：Boehringer Ingelheim Pharma 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。
• CHINAZOLIN DERIVATE , DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL, DEREN VERWENDUNG UND VERFAHREN ZU IHRER HERSTELLUNG
  申请人：Boehringer Ingelheim Pharma KG

  公开号：EP1315717A1

  公开（公告）日：2003-06-04
• US6653305B2
  申请人：——

  公开号：US6653305B2

  公开（公告）日：2003-11-25
• US6972288B1
  申请人：——

  公开号：US6972288B1

  公开（公告）日：2005-12-06