2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile | 1246442-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
• CAS: 1246442-43-2
• 化学式: C₉H₆ClN₅S
• 分子量: 251.699
• InChiKey: YAPUGUALPXSZLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION
  申请人：Binch Hayley

  公开号：US20120015969A1

  公开（公告）日：2012-01-19

  The present invention relates to a compound of Formula (I): wherein: R 1 is H, —NHCOOR 1a , C 5-6 cycloalkyl, or phenyl; where the cycloalkyl and phenyl each independently may be substituted with one to three of the same or different substituents selected from R 10 ; R 1a is C 1-3 alkyl which may be substituted with one to three of the same or different substituents selected from F and Cl; R 2 is H, —COOH, —CH 2 COOH, —COOR 2a , or —CH 2 COOR 2a ; R 2a is C 1-2 alkyl, where the alkyl may be substituted with one to three of the same or different substituents selected from halogen atoms; R 3 is H, C 1-6 alkyl, where the alkyl may be substituted with one to three of the same or different substituents selected from R 11 ; R 10 is F, Cl, CF 3 , or C 1-2 alkyl; R 11 is halogen atom, hydroxy, or cyano; W is selected from: W 2a is H, halogen atom, cyano, C 1-2 alkyl, or C 3-5 cycloalkyl, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及化合物I式：其中：R1为H，—NHCOOR1a，C5-6环烷基或苯基；其中环烷基和苯基各自独立地可用R10中的一到三个相同或不同的取代基取代；R1a为C1-3烷基，可用F和Cl中的一到三个相同或不同的取代基取代；R2为H，—COOH，—CH2COOH，—COOR2a或—CH2COOR2a；其中R2a为C1-2烷基，该烷基可用卤素原子中的一到三个相同或不同的取代基取代；R3为H，C1-6烷基，该烷基可用R11中的一到三个相同或不同的取代基取代；R10为F，Cl，CF3或C1-2烷基；R11为卤素原子，羟基或氰基；W选自：W2为H，卤素原子，氰基，C1-2烷基或C3-5环烷基，或其药学上可接受的盐或酯。
• US8367690B2
  申请人：——

  公开号：US8367690B2

  公开（公告）日：2013-02-05