4-(((3-(4-trifluoromethylphenyl)-isoxazol-5-yl))methoxy)quinazoline | 1459184-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(((3-(4-trifluoromethylphenyl)-isoxazol-5-yl))methoxy)quinazoline
• 英文别名: 5-(Quinazolin-4-yloxymethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole；5-(quinazolin-4-yloxymethyl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
• CAS: 1459184-28-1
• 化学式: C₁₉H₁₂F₃N₃O₂
• 分子量: 371.318
• InChiKey: DIWQRNXLRVTXOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• QUINAZOLINE DERIVATIVE AND APPLICATION THEREOF
  申请人：Fujian Institute Of Research On The Structure Of Matter, Chinese Academy Of Sciences

  公开号：EP2752413A1

  公开（公告）日：2014-07-09

  This invention provides a class of quinazoline compounds, as represented by formula (I), and their pharmaceutically acceptable salts, wherein: each of R1 and R2 independently, is selected from H, C1-C6 alkoxy, halo-C1-C6 alkoxy, C1-C6-alkoxy-C1-C6 alkoxy, C3-C8 cycloalkoxy, C3-C8 heterocycloalkoxy containing at least one of heteroatoms selected from N, O, S; Z is -NR4-, C(R5)2, S or -O-, wherein R4 is H or C1-C3 alkyl, R5 is the same or different, selected from H or C1-C3 alkyl; R3 is selected from H, halogen, C1-C6 alkyl, C1-C6 alkoxy or halo-C1-C6 alkyl; n is an integer from 0 to 5. This invention also provides methods of preparation and medical uses of the compounds of formula (I) and their pharmaceutically acceptable salts. These compounds have the activity of inhibiting EGFR-TK, and can be used as drugs for the treatment of protein tyrosine kinase related diseases such as tumours, cancers, etc.

  本发明提供了一类由式（I）表示的喹唑啉化合物及其药学上可接受的盐类、 其中R1和R2各自独立地选自H、C1-C6烷氧基、卤代-C1-C6烷氧基、C1-C6-烷氧基-C1-C6烷氧基、C3-C8环烷氧基、含有至少一个选自N、O、S的杂原子的C3-C8杂环烷氧基；Z是-NR4-、C(R5)2、S或-O-，其中R4是H或C1-C3烷基，R5相同或不同，选自H或C1-C3烷基；R3选自H、卤素、C1-C6烷基、C1-C6烷氧基或卤代-C1-C6烷基；n是0至5的整数。本发明还提供了式 (I) 化合物及其药学上可接受的盐类的制备方法和医疗用途。这些化合物具有抑制表皮生长因子受体-TK的活性，可用作治疗与蛋白酪氨酸激酶有关的疾病如肿瘤、癌症等的药物。