2-chloro-6-(2,6-difluoro-phenylamino)-nicotinic acid ethyl ester | 1255945-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-chloro-6-(2,6-difluoro-phenylamino)-nicotinic acid ethyl ester
• 英文别名: Ethyl 2-chloro-6-(2,6-difluoroanilino)pyridine-3-carboxylate
• CAS: 1255945-86-8
• 化学式: C₁₄H₁₁ClF₂N₂O₂
• 分子量: 312.703
• InChiKey: IBQYAXAUPOQBHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] PYRIDYLUREA DERIVATIVES AND THEIR THERAPEUTIC USE<br/>[FR] DÉRIVÉS DE PYRIDYLURÉE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：PULMAGEN THERAPEUTICS INFLAMMA

  公开号：WO2010131030A1

  公开（公告）日：2010-11-18

  Compounds of formula (IA) are inhibitors of p38 MAPK inhibitors, useful as anti-inflammatory agents in the treatment of, inter alia, diseases of the respiratory tract formula (IA). wherein R 1 is a radical of formula (IIA), (IIB), or (IIC); wherein m is 0 or 1; T is N or CH; R 2a, R 2b, R 2c are independently selected from H, halogen and C1 -C6 alkyl; R3 is H or F; R4 is -CH3; -C2 H5; -CH2OH, CH2SCH3; - SCH3 or -SC2H5; R5 is -CH3 or -C2H5; R6 is H, or represents one or more 10 substituents, each independently selected from C1 -C6 alkyl, hydroxy, halogen, and radicals of formulae (IIIA), (IIIB) and (IIIC):IA)(IIIB)(IIIC); wherein R61a and R61b are independently H or C1-C6 alkyl, or R61a and R61b taken together with the nitrogen to which they are attached to form a 6-membered 15 heterocyclic ring optionally containing a further heteroatom selected from N and O; n is 0, 1 or 2; p is 1 or 2; R7 is H or F; and R8 is H or CONH2.

  式（IA）的化合物是p38 MAPK抑制剂，可用作抗炎药物，用于治疗呼吸道疾病等疾病。其中R1是式（IIA）、（IIB）或（IIC）的基团；m为0或1；T为N或CH；R2a、R2b、R2c分别选自H、卤素和C1-C6烷基；R3为H或F；R4为-CH3；-C2 H5；-CH2OH、CH2S ；-S 或-S ；R5为- 或-C2H5；R6为H，或表示一个或多个取自C1-C6烷基、羟基、卤素和式（IIIA）、（IIIB）和（IIIC）的基团的取代基，其中R61a和R61b分别独立为H或C1-C6烷基，或R61a和R61b一起与它们连接的氮原子形成一个6元杂环环，可选地含有进一步选择自N和O的异原子；n为0、1或2；p为1或2；R7为H或F；R8为H或CONH2。