1-[5-[2-(5-Tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylphenyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[5-[2-(5-Tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylphenyl)urea
• 英文别名: 1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylphenyl)urea
• 化学式: C₂₄H₂₉N₅O₂S
• 分子量: 451.6
• InChiKey: AKCORMAVHBNSAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  120
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Carbon substituted aminothiazole inhibitors of cyclin dependent kinases
  申请人：——

  公开号：US20020165259A1

  公开（公告）日：2002-11-07

  Compounds of the formula 1 and pharmaceutically acceptable salts thereof. As used in formula I, and throughout the specification, the symbols have the following meanings: R 1 ═R 2 , COR 3 , CONH 2 , CONR 2 R 3 , COOR 2 , or SO 2 R 2 ; R 2 =alkyl, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl; R 3 ═H, alkyl, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl; 2 , where n=0,1,2; m=1,2 but both n and m cannot be 2, or , where i, j=0 or 1 but cannot both be 1, and Y=optionally substituted alkene, alkyne, or any 2 adjacent carbon atoms of a cycloalkyl or cycloheteroalkyl ring of 3-7 atoms; R 4 =alkyl with two or more carbon atoms, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, or R 9 with the proviso that when R 1 is acetyl or propionyl and Y=alkene, then R 4 cannot be nitrofuryl or 2-quinolinyl; R 5 , R 6 , R 7 , R 8 =independently H, alkyl, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, halo, or hydroxy, alkoxy, amino, NR 12 R 13 , thio, or alkylthio with the proviso that only one such heteroatom group is bonded to any one carbon atom; R 9 = 3 where Z═O, NR 14 , S; R 10 , R 11 =independently H, alkyl, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, heteroarylalkyl, halo, hydroxy, alkoxy, alkylcarbonyloxy, carboxy, alkyloxycarbonyl, amino, NR 15 R 16 , carbamoyl, ureido, thio, or alkylthio; R 12 , R 13 , R 14 , R 15 , R 16 =independently H, alkyl, cycloalkyl, heterocycloalkyl, cycloalkylalkyl, heterocycloalkylalkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl. The compounds of formula I are protein kinase inhibitors and are useful in the treatment of proliferative diseases, for example, cancer, inflammation and arthritis. They may also be useful in the treatment of Alzheimer's disease, and cardiovascular disease.

  公式1的化合物及其药学上可接受的盐。在公式I中使用的符号具有以下含义：R1═R2、COR3、CONH2、CONR2R3、COOR2或SO2R2；R2=烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基、杂芳基烷基；R3═H、烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基、杂芳基烷基；2，其中n=0、1、2；m=1、2，但n和m不能都为2，或者，当i、j=0或1但不能都为1时，Y=可选取代烯烃、炔烃或3-7原子的环烷基或环杂环烷基中的任意两个相邻碳原子；R4=具有两个或更多碳原子的烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基、杂芳基烷基或R9，但当R1为乙酰基或丙酰基且Y=烯烃时，R4不能为硝基呋喃基或2-喹啉基；R5、R6、R7、R8=独立地为H、烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基、杂芳基烷基、卤素、羟基、烷氧基、氨基、NR12R13、硫醚或烷基硫醚，但只有一个这样的杂原子基团与任何一个碳原子相结合；R9=3，其中Z═O、NR14、S；R10、R11=独立地为H、烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基、杂芳基烷基、卤素、羟基、烷氧基、烷基羰氧基、羧基、烷氧羰基、氨基、NR15R16、氨基甲酰、脲基、硫醚或烷基硫醚；R12、R13、R14、R15、R16=独立地为H、烷基、环烷基、杂环烷基、环烷基烷基、杂环烷基烷基、芳基、杂芳基、芳基烷基或杂芳基烷基。公式I的化合物是蛋白激酶抑制剂，可用于治疗增生性疾病，例如癌症、炎症和关节炎。它们也可能对治疗阿尔茨海默病和心血管疾病有用。
• CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：EP1087951B1

  公开（公告）日：2005-02-09