2-[4-(2-butyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl (4-methylphenyl)sulfonylcarbamate p-toluenesulfonate | 415905-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-[4-(2-butyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl (4-methylphenyl)sulfonylcarbamate p-toluenesulfonate
• 英文别名: 2-[4-(2-butyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl N-(4-methylphenyl)sulfonylcarbamate;4-methylbenzenesulfonic acid
• CAS: 415905-97-4
• 化学式: C₇H₈O₃S*C₂₈H₃₂N₄O₄S
• 分子量: 692.857
• InChiKey: QOXJOTNDMSEROF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.59
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  174
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[4-(2-butyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl (4-methylphenyl)sulfonylcarbamate 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 2-[4-(2-butyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl (4-methylphenyl)sulfonylcarbamate p-toluenesulfonate
  参考文献：
  名称：

  Use of EP4 receptor ligands in the treatment of IL-6 involved diseases

  摘要：

  治疗IL-6相关疾病的方法涉及EP4受体配体，包括EP4受体拮抗剂。用于确定试验化合物对PGE2诱导的全血细胞活化效果的测定。

  公开号：

  US20030236260A1

文献信息

• Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents
  申请人：——

  公开号：US20040181059A1

  公开（公告）日：2004-09-16

  This invention provides a compound of the formula (I): 1 or the pharmaceutically acceptable salts thereof, wherein Y 1 , Y 2 , Y 3 and Y 4 are independently selected from N, CH, etc.; R 1 is H, C 1-8 alkyl, etc.; Q 1 is a 5-12 membered monocyclic or bicyclic aromatic ring optionally containing up to 4 heteroatoms selected from O, N and S, etc.; A is a 5-6 membered monocyclic aromatic ring optionally containing up to 3 heteroatoms selected from O, N and S, etc.; B is C 1-6 alkylene optionally substituted with an oxo group, etc.; W is NH, O, etc.; R 2 is H, C 1-4 alkyl, etc.; Z is a 5-12 membered monocyclic or bicyclic aromatic ring optionally containing up to 3 heteroatoms selected from O, N and S, etc.; L is halo, C 1-4 alkyl, etc.; m is 0, 1 or 2; R 3 and R 4 are independently selected from H and C 1-4 alkyl; R 5 is H, C 1-4 alkyl, etc.; Q 2 is a 5-12 membered monocyclic or bicyclic aromatic ring or tricyclic ring optionally containing up to 3 heteroatoms selected from O, N and S, etc. These compounds are useful for the treatment of medical conditions mediated by prostaglamndin such as pain, fever or inflammation, etc. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式(I)的化合物或其药学上可接受的盐，其中Y1、Y2、Y3和Y4独立地选自N、CH等；R1为H、C1-8烷基等；Q1为5-12成员的单环或双环芳香环，可选含有最多4个异原子，如O、N和S等；A为5-6成员的单环芳香环，可选含有最多3个异原子，如O、N和S等；B为C1-6烷基，可选用含有氧代基等官能团；W为NH、O等；R2为H、C1-4烷基等；Z为5-12成员的单环或双环芳香环，可选含有最多3个异原子，如O、N和S等；L为卤素、C1-4烷基等；m为0、1或2；R3和R4独立地选自H和C1-4烷基；R5为H、C1-4烷基等；Q2为5-12成员的单环或双环芳香环或三环环，可选含有最多3个异原子，如O、N和S等。这些化合物可用于治疗由前列腺素介导的医疗状况，如疼痛、发热或炎症等。本发明还提供了包含上述化合物的制药组合物。