{2-[1-(4,7-dimethyl-pyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)-piperidin-4-yl]-thiazol-4-yl}-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: {2-[1-(4,7-dimethyl-pyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)-piperidin-4-yl]-thiazol-4-yl}-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone
• 英文别名: [2-[1-(4,7-Dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• 化学式: C₂₈H₂₉F₃N₈O₂S
• 分子量: 598.652
• InChiKey: JJHNHXBRNSFWJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof
  申请人：4SC AG

  公开号：EP1637529A1

  公开（公告）日：2006-03-22

  The present invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof,     wherein R1is independently hydrogen, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R2is independently -NR3R4, R3is independently alkyl, cycloalkyl, alkoxy, alkylamine, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R4is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R5is independently H, COR6, CO2R6, SOR6, SO2R6, SO3R6, alkyl, cycloalkyl, alkoxy, -NH2, alkylamine, -NR7COR6, halogen, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R6is independently H, alkyl, cycloalkyl, -NH2, alkylamine, aryl or heteroaryl; R7is independently H, alkyl, cycloalkyl, alkoxy, -OH, -SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; pis 0, or 1; qis 0, or 1; Xis CO, or SO2.

  本发明涉及通式（I）的化合物及其盐类和生理功能衍生物。 及其盐类和生理功能衍生物、 其中 R1 独立地为氢、烷基、环烷基、羟烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂芳基、取代杂芳基、芳烷基或取代芳烷基； R2 独立地为-NR3R4、 R3 独立地是烷基、环烷基、烷氧基、烷基胺、-OH、-SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基、 R4 独立地为烷基、环烷基、烷氧基、烷基胺、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基； R5 独立地为 H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、-NH2、烷基胺、-NR7COR6、卤素、-OH、-SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基； R6 独立地为 H、烷基、环烷基、-NH2、烷基胺、芳基或杂芳基； R7 独立地为 H、烷基、环烷基、烷氧基、-OH、-SH、烷硫基、羟基烷基、芳基或杂芳基； p 为 0，或 1； q 为 0 或 1； X为 CO 或 SO2。
• NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF
  申请人：4SC AG

  公开号：EP2343293A1

  公开（公告）日：2011-07-13

  The present invention relates to compounds of the general formula (I) and salts thereof, wherein R1 is independently hydrogen, alkyl, cycloalkyl, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl or substituted arylalkyl; R2 is independently R3 is independently alkyl, cycloalkyl, alkoxy, alkylamine, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl, R4 is independently alkyl, cycloalkyl, alkoxy, alkylamine, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R5 is independently H, COR6, CO2R6, SOR6, SO2R6, SO3R6, alkyl, cycloalkyl, alkoxy, -NH2, alkylamine, -NR7COR6, halogen, -OH, -SH, alkylthio, hydroxyalkyl, haloalkyl, haloalkyloxy, aryl or heteroaryl; R6 is independently H, alkyl, cycloalkyl, -NH2, alkylamine, aryl or heteroaryl; R7 is independently H, alkyl, cycloalkyl, alkoxy, -OH, -SH, alkylthio, hydroxyalkyl, aryl, or heteroaryl; p is 0, or 1; q is 0, or 1; X is CO, or SO2.

  本发明涉及通式 (I) 的化合物 及其盐类，其中 R1 独立地是氢、烷基、环烷基、羟烷基、卤代烷基、卤代烷氧基、芳基、取代芳基、杂芳基、取代杂芳基、芳烷基或取代芳烷基； R2 独立地 R3 独立地为烷基、环烷基、烷氧基、烷基胺、-OH、-SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基、 R4 独立地是烷基、环烷基、烷氧基、烷基胺、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基； R5 独立地为 H、COR6、CO2R6、SOR6、SO2R6、SO3R6、烷基、环烷基、烷氧基、-NH2、烷基胺、-NR7COR6、卤素、-OH、-SH、烷硫基、羟基烷基、卤代烷基、卤代烷氧基、芳基或杂芳基； R6 独立地为 H、烷基、环烷基、-NH2、烷基胺、芳基或杂芳基； R7 独立地为 H、烷基、环烷基、烷氧基、-OH、-SH、烷硫基、羟基烷基、芳基或杂芳基； p 为 0 或 1 q 为 0 或 1； X 是 CO 或 SO2。