5-bromo-N-[(4-chlorophenyl)methyl]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine | 898277-78-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-bromo-N-[(4-chlorophenyl)methyl]-N'-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
• 英文别名: 5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
• CAS: 898277-78-6
• 化学式: C₁₇H₁₆BrClN₆
• 分子量: 419.711
• InChiKey: SKSUFRGHAZAZHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  78.5
• 氢给体数：
  3
• 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—(CH2)n—NR15R16、—C(O)—C1-C6烷基、—C0-C6-烷基-R21、—O—R21、—C(O)—R21、—O—(CH2)n—R21、—C(O)—NR13R14、—C(O)—N(R13)-芳基、—C(O)—N(R13)(CH2)n—NR15R16、—C(O)—N(R13)—(CH2)n-芳基—C(O)—N(R13)—(CH2)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。
• 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。
• METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA
  申请人：Lamb Peter

  公开号：US20100209420A1

  公开（公告）日：2010-08-19

  The present invention provides methods of treating cancer by administering a compound of Formula I, optionally as a pharmaceutically acceptable salt, solvate and/or hydrate thereof, in combination with other cancer treatments. (Formula I)

  本发明提供了一种通过与其他癌症治疗方法联合使用的方式，给予公式I化合物（可选择其作为药用盐，溶剂或水合物）来治疗癌症的方法。（公式I）
• COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER
  申请人：Lamb Peter

  公开号：US20110123434A1

  公开（公告）日：2011-05-26

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

  本发明提供了一种通过与其他癌症治疗方法联合使用的方法，给予I式化合物（可选地作为其药学上可接受的盐，溶剂和/或水合物）治疗癌症的方法。