4-[(3-chloro-4-fluorophenyl)amino]-8-methyl-2H-chromen-2-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4-[(3-chloro-4-fluorophenyl)amino]-8-methyl-2H-chromen-2-one
• 英文别名: 4-(3-Chloro-4-fluoroanilino)-8-methylchromen-2-one
• 化学式: C₁₆H₁₁ClFNO₂
• 分子量: 303.72
• InChiKey: KGCWQAYBDIHXSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1671962A1

  公开（公告）日：2006-06-21

  The compound represented by the general formula (I): wherein, a fused ring AB represents a 5- to 10-membered fused heterocyclic ring; R1 represents (1) a hydrogen atom, (2) a halogen atom, (3) a cyano group, (4) an oxo group, (5) an optionally protected hydroxyl group, (6) an optionally protected carboxyl group, (7) an optionally protected amino group, (8) a cyclic group which may have a substituent (s), (9) an aliphatic hydrocarbon group which may have a substituent (s), or (10) an optionally protected thiol group; n represents 0 or an integer of 1 to 8; provided that n represents an integer of not less than 2, plural R1 are the same or different; a salt thereof, a solvate thereof or a prodrug thereof has a kinase(especially c-Jun N-terminalkinase) inhibitory activity and an inhibitory activity of a function of AP-1 as a transcription factor, it is useful as a preventive and/or therapeutic agent for a for example, a diabetes of metabolic disease, etc., a rheumatoid arthritis of inflammatory, etc.

  化合物的一般式（I）：其中，融合环AB代表一个5-至10-成员的融合杂环；R1代表（1）氢原子，（2）卤素原子，（3）氰基，（4）氧基，（5）可选保护的羟基，（6）可选保护的羧基，（7）可选保护的氨基，（8）可能具有取代基的环状基团，（9）可能具有取代基的脂肪烃基团或（10）可选保护的硫醇基团; n代表0或1至8的整数; 假设n代表不小于2的整数，则复数R1相同或不同;其盐，溶剂化物或前药具有激酶（尤其是c-Jun N末端激酶）抑制活性和AP-1作为转录因子的功能抑制活性，因此可用作预防和/或治疗代谢疾病（例如糖尿病等）和炎症性风湿性关节炎等的药物。
• Novel fused heterocyclic compound and use thereof
  申请人：Yoshizawa Toshio

  公开号：US20070060595A1

  公开（公告）日：2007-03-15

  The compound represented by the general formula (I): wherein, a fused ring AB represents a 5- to 10-membered fused heterocyclic ring; R 1 represents (1) a hydrogen atom, (2) a halogen atom, (3) a cyano group, (4) an oxo group, (5) an optionally protected hydroxyl group, (6) an optionally protected carboxyl group, (7) an optionally protected amino group, (8) a cyclic group which may have a substituent (s), (9) an aliphatic hydrocarbon group which may have a substituent (s), or (10) an optionally protected thiol group; n represents 0 or an integer of 1 to 8; provided that n represents an integer of not less than 2, plural R 1 are the same or different; a salt thereof, a solvate thereof or a prodrug thereof has a kinase (especially c-Jun N-terminal kinase) inhibitory activity and an inhibitory activity of a function of AP-1 as a transcription factor, it is useful as a preventive and/or therapeutic agent for a for example, a diabetes of metabolic disease, etc., a rheumatoid arthritis of inflammatory, etc.

  化合物的一般式(I)表示的化合物：其中，融合环AB表示一个5-至10-成员的融合杂环；R1表示（1）氢原子，（2）卤原子，（3）氰基，（4）氧代基，（5）可选保护的羟基，（6）可选保护的羧基，（7）可选保护的氨基，（8）可能具有取代基（s）的环状基团，（9）可能具有取代基（s）的脂肪烃基团，或（10）可选保护的硫醇基团；n表示0或1至8的整数；但是，如果n表示不少于2的整数，则复数R1相同或不同；其盐、溶剂化物或前药具有激酶（特别是c-Jun N末端激酶）抑制活性和AP-1作为转录因子的功能抑制活性，因此它对于例如代谢性疾病的糖尿病等，炎症性的类风湿性关节炎等的预防和/或治疗剂是有用的。