[4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-yl]-phenyl-amine | 326817-95-2

• 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: [4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-yl]-phenyl-amine
• 英文别名: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-2-amine
• CAS: 326817-95-2
• 化学式: C₂₀H₁₆N₄O
• 分子量: 328.373
• InChiKey: NENYOJYUGVDTRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tris-(dibenzylideneacetone)dipalladium(0) 、 4-(5-甲基-3-苯基-1,2-恶唑-4-基)嘧啶-2-胺 、 溴苯 在 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以24 mg (36%)的产率得到[4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-yl]-phenyl-amine
  参考文献：
  名称：

  Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases

  摘要：

  本发明提供了公式I的化合物：其中R1为H、CONH2、T(n)—R或T(n)—Ar2，n可以是零或一，而G、XYZ和Q如下所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，JNK是一种参与细胞增殖、细胞死亡和对细胞外刺激反应的哺乳动物蛋白激酶。该发明还涉及生产这些抑制剂的方法。该发明还提供包含该发明中的抑制剂的药物组合物，并提供利用这些组合物在治疗和预防各种疾病中的方法。

  公开号：

  US20030149051A1

文献信息

• Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases
  申请人：Green Jeremy

  公开号：US20050026967A1

  公开（公告）日：2005-02-03

  The present invention provides compounds of formula I: where R 1 is H, CONH 2 , T( n )—R, or T( n )—Ar 2 , n may be zero or one, and G, XYZ, and Q are as described below. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供式I的化合物：其中R1为H、CONH2、T（n）—R或T（n）—Ar2，n可以为零或一，而G、XYZ和Q如下所述。这些化合物是蛋白激酶抑制剂，特别是JNK的抑制剂，JNK是哺乳动物蛋白激酶，涉及细胞增殖、细胞死亡和对细胞外刺激的反应。本发明还涉及制备这些抑制剂的方法。本发明还提供了包含本发明抑制剂的制药组合物和利用这些组合物在治疗和预防各种疾病的方法。
• PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND
  申请人：Ohi Norihito

  公开号：US20090054397A1

  公开（公告）日：2009-02-26

  The present invention provides a novel compound having an excellent JNK inhibitory effect. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. Wherein R 1 designates —(CO) h —(NR a ) j —(CR b ═CR c ) k —Ar (wherein R a , R b and R c each independently designate a hydrogen atom, a halogen atom, hydroxyl group, an optionally substituted C 1-6 alkyl group or the like; Cy designates a 5- or 6-membered heteroaryl; and V each independently designate the formula -L-X—Y (wherein L designates a single bond, an optionally substituted C 1-6 alkylene group or the like; X designates a single bond or the formula -A- (wherein A designates NR 2 , O, CO, S, SO or SO 2 ) and so on; and Y designates a hydrogen atom, a halogen atom, nitro group or the like).

  本发明提供了一种具有出色JNK抑制作用的新化合物。即提供了由以下公式表示的化合物，其盐或水合物。其中，R1代表—(CO)h—(NRa)j—(CRb═CRc)k—Ar（其中，Ra，Rb和Rc各自独立地代表氢原子，卤素原子，羟基，可选取代的C1-6烷基或类似物；Cy代表5或6成员的杂环芳基；V各自独立地代表公式-L-X-Y（其中，L代表单键，可选取代的C1-6亚烷基或类似物；X代表单键或公式-A-（其中，A代表NR2，O，CO，S，SO或SO2）等；Y代表氢原子，卤素原子，硝基或类似物）。
• Inhibitors of c-JUN N terminal kinases (JNK) and other protein kinases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US06693108B2

  公开（公告）日：2004-02-17

  The present invention provides compounds of formula I: where R1 is H, CONH2, T(n)—R, or T(n)—Ar2, n may be zero or one, and G, XYZ, and Q are as described below. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了式I的化合物：其中R1为H，CONH2，T（n）—R或T（n）—Ar2，n可以为零或一，而G，XYZ和Q如下所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，这是一种参与细胞增殖，细胞死亡和对细胞外刺激的哺乳动物蛋白激酶。本发明还涉及制备这些抑制剂的方法。本发明还提供了包含本发明的抑制剂的制药组合物以及利用这些组合物治疗和预防各种疾病的方法。
• Novel 1H-indazole compounds
  申请人：Oinuma Hitoshi

  公开号：US20090203691A1

  公开（公告）日：2009-08-13

  The present invention provides a novel 1H-indazole compound having an excellent JNK inhibitory action. More specifically, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. Wherein R 1 is a C 6 -C 14 aromatic cyclic hydrocarbon group etc.; R 2 , R 4 and R 5 each independently represent a hydrogen atom, a halogen atom, a cyano group etc.; L is a single bond, or a C 1 -C 6 alkylene group etc.; X is a single bond, or a group represented by —CO—NH— or —NH—CO—, etc.; and Y is a C 3 -C 8 cycloalkyl group, a C 6 -C 14 aromatic cyclic hydrocarbon group or a 5- to 14-membered aromatic heterocyclic group etc.

  本发明提供了一种新型1H-吲唑化合物，具有优异的JNK抑制作用。更具体地，它提供了下式所示的化合物，其盐或水合物。其中，R1是C6-C14芳香环烃基等; R2、R4和R5各自独立地表示氢原子、卤素原子、氰基等; L是单键，或C1-C6烷基等; X是单键，或由—CO—NH—或—NH—CO—等表示的基团; Y是C3-C8环烷基、C6-C14芳香环烃基或5-至14-成员芳香杂环基等。
• 1H-INDAZOLE COMPOUNDS INHIBITING JNK
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1380576B1

  公开（公告）日：2009-11-25