N-[(3-{4-Amino-5-[3-(Benzyloxy)phenyl]-7h-Pyrrolo[2,3-D]pyrimidin-7-Yl}cyclobutyl)methyl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-[(3-{4-Amino-5-[3-(Benzyloxy)phenyl]-7h-Pyrrolo[2,3-D]pyrimidin-7-Yl}cyclobutyl)methyl]acetamide
• 英文别名: N-[[3-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl]acetamide
• 化学式: C₂₆H₂₇N₅O₂
• 分子量: 441.5
• InChiKey: BUCAFRXFNHCHRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Pyrimidine Derivatives As Kinase Modulators and Method of Use
  申请人：Chen Jeff

  公开号：US20080249079A1

  公开（公告）日：2008-10-09

  The invention provides compounds and methods for inhibition of kinases, more specifically IGF 1 R kinases. The invention also provides compounds and methods for inhibition of wildtype Abl. The invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration and chemoinvasion. Compounds of the invention inhibit, regulate and/or modulate kinase receptor signal transduction pathways related to the changes in cellular activities as mentioned above, and the invention includes compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions. A compound of formula (I), or a pharmaceutically acceptable salt, hydrate, or prodrug thereof, wherein, V is NR 1 R 1a , or O—R 1 , wherein X is H, halo, C 1 -C 6 alkyl, NO 2 , mono-, di-, or tri-halo substituted methyl, NR 13 R, 14 . C(O)O—C 1 -C 6 alkyl, or N(R 13 )—C(O)—C 1 -C 6 alkyl; Y is H, halo, OH, C 1 -C 6 alkyl, C 0 -C 6 alkyl-NR, 15 R 16 , NR 15 R, 6 , C 1 -C 6 alkoxy, —N(R 13 )—(CH 2 ) n- NR 15 R 16 , —C(O)O—C 1 -C 6 alkyl, —O—(CH 2 ) n —NR 15 R 16 , —C(O)—C 1 -C 6 alkyl, —C 0 -C 6 -alkyl-R 21 , —O—R 21 , —C(O)—R 21 , —O—(CH 2 ) n —R 21 , —C(O)—NR 13 R 14 , —C(O)—N(R 13 )-aryl, —C(O)—N(R 13 )(CH 2 ) n —NR 15 R 16 , —C(O)—N(R 13 )—(CH 2 ) n -aryl —C(O)—N(R 13 )—(CH 2 ) n -heterocyclyl; or X and Y together with the atoms to which they are attached form a 4-7 membered heterocyclyl or heteroaryl group containing one or two heteroatoms independently selected from O, N, and S. Z is H, NR 2 R 3 , —S—R 2a , or —O—R 2a

  该发明提供了抑制激酶的化合物和方法，更具体地是IGF 1 R激酶的抑制。该发明还提供了抑制野生型Abl的化合物和方法。该发明提供了用于调节蛋白激酶酶活性以调节细胞活动，如增殖、分化、程序性细胞死亡、迁移和化学侵袭的化合物。该发明的化合物抑制、调节和/或调节与细胞活动变化相关的激酶受体信号转导途径，如上述所述，并且该发明包括含有这些化合物的组合物，以及使用它们治疗依赖激酶的疾病和病况的方法。式(I)的化合物，或其药学上可接受的盐、水合物或前药，其中，V为NR1R1a，或O—R1，其中X为H、卤素、C1-C6烷基、NO2、单、双或三卤代甲基、NR13R14、C(O)O—C1-C6烷基，或N(R13)—C(O)—C1-C6烷基；Y为H、卤素、OH、C1-C6烷基、C0-C6烷基-NR15R16、NR15R6、C1-C6烷氧基、—N(R13)—(CH2)n-NR15R16、—C(O)O—C1-C6烷基、—O—( )n—NR15R16、—C(O)—C1-C6烷基、—C0-C6-烷基-R21、—O—R21、—C(O)—R21、—O—( )n—R21、—C(O)—NR13R14、—C(O)—N(R13)-芳基、—C(O)—N(R13)( )n—NR15R16、—C(O)—N(R13)—( )n-芳基—C(O)—N(R13)—( )n-杂环烷基；或X和Y与它们连接的原子一起形成一个含有O、N和S中独立选择的一个或两个杂原子的4-7元杂环烷基或杂芳基团。Z为H、NR2R3、—S—R2a，或—O—R2a。
• Methods of Using IGFIR and ABL Kinase Modulators
  申请人：Zhang Wentao

  公开号：US20090232828A1

  公开（公告）日：2009-09-17

  The invention provides methods of treating cancer with a compound which inhibits kinases, more specifically IGF1R and Abl, in combination with treatments(s) selected from surgery, radiation, monoclonal antibody, bone marrow or peripheral blood stem cell transplantation, and one or more chemotherapeutic agent(s).

  这项发明提供了一种使用抑制激酶的化合物治疗癌症的方法，更具体地是IGF1R和Abl，结合手术、放疗、单克隆抗体、骨髓或外周血干细胞移植以及一种或多种化疗药物的治疗方法。
• [EN] 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO (2,3-D) PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO (2,3-D) PYRIMIDINE
  申请人：NOVARTIS AG

  公开号：WO2002092599A1

  公开（公告）日：2002-11-21

  The invention relates to new 4-amino-5-phenyl-7-cyclobutyl-pyrrolo[2,3-d]pyrimidine derivatives, processes for the preparation thereof, the application thereof in a process for the treatment of the human or animal body, the use thereof-alone or in combination with one or more other pharmaceutically active compounds-for the treatment of a disease, especially a proliferative disease, such as a tumour disease, a method for the treatment of such diseases in mammals, especially in humans, and the use of such a compound-alone or in combination with one or more other pharmaceutically active compounds-for the preparation of a pharmaceutical composition (medicament) for the treatment especially of a proliferative disease, such as a tumour.

  本发明涉及新的4-氨基-5-苯基-7-环丁基吡咯并[2,3-d]嘧啶衍生物，其制备方法，其在用于治疗人体或动物体的过程中的应用，其独自使用或与一个或多个其他药物活性化合物结合用于治疗疾病，特别是增生性疾病，如肿瘤疾病，哺乳动物，特别是人类的这种疾病的治疗方法，以及这种化合物的使用-独自使用或与一个或多个其他药物活性化合物结合用于制备用于治疗特别是增生性疾病，如肿瘤的药物组合（药物）。
• 4-Amino-5-phenyl-7-cyclobutyl-pyrrolo(2,3-d)pyrimidine derivatives
  申请人：——

  公开号：US20040180911A1

  公开（公告）日：2004-09-16

  The invention relates to new 4-amino-5-phenyl-7-cyclobutyl-pyrrolo[2,3-d]pyrimidine derivatives, processes for the preparation thereof, the application thereof in a process for the treatment of the human or animal body, the use thereof-alone or in combination with one or more other pharmaceutically active compounds-for the treatment of a disease, especially a proliferative disease, such as a tumour disease, a method for the treatment of such diseases in mammals, especially in humans, and the use of such a compound-alone or in combination with one or more other pharmaceutically active compounds-for the preparation of a pharmaceutical composition (medicament) for the treatment especially of a proliferative disease, such as a tumour.

  本发明涉及新的4-氨基-5-苯基-7-环丁基吡咯[2,3-d]嘧啶衍生物，其制备方法，其在治疗人体或动物体的过程中的应用，其单独或与一个或多个其他药物活性化合物结合的用于治疗疾病，特别是增生性疾病，如肿瘤疾病的用途，以及在哺乳动物，特别是人类中治疗此类疾病的方法，以及单独或与一个或多个其他药物活性化合物结合的用于制备治疗增生性疾病，如肿瘤的药物组合（药物）的用途。
• Methods of using MEK inhibitors
  申请人：Lamb Peter

  公开号：US20080166359A1

  公开（公告）日：2008-07-10

  The present invention provides methods of treating cancer by administering a compound of Formula I, or a pharmaceutically acceptable salt or solvate thereof, in combination with other cancer treatments.

  本发明提供了一种通过给予I式化合物或其药学上可接受的盐或溶剂与其他癌症治疗相结合的方法来治疗癌症的方法。