7-[5-chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-6-methoxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one | 1022961-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 7-[5-chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-6-methoxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
• 英文别名: 7-[[5-chloro-4-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]-6-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
• CAS: 1022961-78-9
• 化学式: C₂₆H₂₉ClN₆O₄
• 分子量: 525.007
• InChiKey: BNEDUUNGIURSQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  7-amino-6-methoxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one 、 2,5-di-chloro-N-(2-methoxy-4-morpholinyl-phenyl)pyrimidin-4-amine 在 盐酸 、 水 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 乙二醇甲醚 、 异丙醇 为溶剂， 反应 5.5h， 以52%的产率得到7-[5-chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-6-methoxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
  参考文献：
  名称：

  WO2008/51547

  摘要：

  公开号：

文献信息

• [EN] USE OF CRTH2 ANTAGONIST COMPOUNDS IN THERAPY<br/>[FR] UTILISATION DE COMPOSÉS ANTAGONISTES DE CRTH2 EN THÉRAPIE
  申请人：OXAGEN LTD

  公开号：WO2005044260A1

  公开（公告）日：2005-05-19

  Compounds of general formula (I) wherein R1, R2 , R3 and R4 are independently hydrogen, halo,C1-C6 alkyl, -O(C1-C6 alkyl), -CON(R11)2 , -SO11, -SO2R11, -SO2N(R11)2, -N(R11)2, -NR11COR11, -CO2R11, -COR11, -SR11, -OH, -NO2 or -CN; each R11 is independently hydrogen or C1 -C6 alkyl; R5 and R6 are each independently hydrogen, or C1-C6 alkyl or together with the carbon atom to which they are attached forrn a C3-C7 cycloalkyl group; R7 is hydrogen or C1-C6 alkyl; R8 is an aromatic moiety optionally substituted with one or more substituents selected from halo, C1-C6 alkyl, -O(C1-C6)alkyl, -CON(R11)2, -SOR11, -SO2R11 , -SO2N(R11)2, -N(R11)2, -NR11COR11, -CO2R11, -COR11, -SR11, -OH, -NO2 or -CN; wherein R11 is as defined above; R9 is hydrogen, or C1-C6 alkyl; provided that: R8 is not phenyl substituted with -COOH; when any two of R1, R2 , R3 and R4 are hydrogen, neither of the other two of R1, R2 , R3 and R4 is C3-C6 alkyl; and their pharmaceutically acceptable salts, hydrates, solvates, complexes or prodrugs are useful in the preparation of pharmaceuticals for the treatment of allergic diseases such as asthma, allergic rhinitis and atopic dermatitis.

  通式（I）的化合物，其中R1、R2、R3和R4分别独立地为氢、卤素、C1-C6烷基、-O(C1-C6烷基)、-CON(R11)2、-SO11、-SO2R11、-SO2N(R11)2、-N(R11)2、-NR11COR11、-CO2R11、-COR11、-SR11、-OH、-NO2或-CN；每个R11独立地为氢或C1-C6烷基；R5和R6分别独立地为氢，或C1-C6烷基，或与其连接的碳原子一起形成C3-C7环烷基基团；R7为氢或C1-C6烷基；R8为芳香基，可选地取代一个或多个卤素、C1-C6烷基、-O(C1-C6)烷基、-CON(R11)2、-SOR11、-SO2R11、-SO2N(R11)2、-N(R11)2、-NR11COR11、-CO2R11、-COR11、-SR11、-OH、- 或-CN的取代基；其中R11如上定义；R9为氢或C1-C6烷基；但是：R8不是取代有-COOH的苯基；当R1、R2、R3和R4中的任意两个为氢时，其余两个中的任何一个不是C3-C6烷基；以及它们的药学上可接受的盐、水合物、溶剂化合物或前药在制备用于治疗过敏疾病如哮喘、过敏性鼻炎和特应性皮炎的药物中是有用的。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors
  申请人：Ahmed Gulzar

  公开号：US20120165519A1

  公开（公告）日：2012-06-28

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。式I或II的化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。
• Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors
  申请人：Ahmed Gulzar

  公开号：US08552186B2

  公开（公告）日：2013-10-08

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R1, R2, R3, R4, R5, A1, A2, A3, A4, and A5, are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5的定义如本文所述。式I或II的化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors
  申请人：Cephalon, Inc.

  公开号：US08148391B2

  公开（公告）日：2012-04-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R1, R2, R3, R4, R5, A1, A2, A3, A4, and A5, are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了I或II式化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5的定义如本文所述。I或II式化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。