4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)-3-nitropyridine | 415911-41-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)-3-nitropyridine
• 英文别名: 1-[2-[4-[(4,6-dimethyl-3-nitropyridin-2-yl)amino]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
• CAS: 415911-41-0
• 化学式: C₂₃H₂₅N₅O₅S
• 分子量: 483.548
• InChiKey: IJMQWCBTVUDQNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)-3-nitropyridine 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以85%的产率得到n-{[(2-{4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl}ethyl)amino]carbonyl}-4-methylbenzenesulfonamide
  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
• 作为产物：
  描述：

  3-{4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl}propanoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)-3-nitropyridine
  参考文献：
  名称：

  EP4 receptor inhibitors to treat rheumatoid arthritis

  摘要：

  该发明涉及一种治疗哺乳动物类风湿性关节炎的方法，包括给予一种抑制前列腺素EP4受体（EP4）活性的药物。还涉及一种识别在体内选择性抑制EP4活性的药物的方法。

  公开号：

  US20020077329A1

文献信息

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

  公开号：US20020107273A1

  公开（公告）日：2002-08-08

  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 5-6 membered monocyclic aromatic ring optionally containing up to 3 heteroatoms selected form 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 form 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.

  本发明提供了公式（I）的化合物或其药学上可接受的盐，其中Y1，Y2，Y3和Y4独立选择自N，CH等；R1是H，C1-8烷基等；Q1是5-12成员的单环或双环芳香环，可选含有高达4个杂原子，所选自O，N和S等；A是5-6成员的单环芳香环，可选含有高达3个杂原子，所选自O，N和S等；B是C1-6烷基，可选替代氧代基等；W是NH，O等；R2是H，C1-4烷基等；Z是5-12成员的单环或双环芳香环，可选含有高达3个杂原子，所选自O，N和S等；L是卤素，C1-4烷基等；m为0、1或2；R3和R4独立选择自H和C1-4烷基；R5是H，C1-4烷基等；Q2是5-12成员的单环或双环芳香环或三环环，可选含有高达3个杂原子，所选自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，例如疼痛，发热或炎症等。本发明还提供了包含上述化合物的药物组合物。
• Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases
  申请人：Shimojo Masato

  公开号：US20070066618A1

  公开（公告）日：2007-03-22

  Methods of treating IL-6 involved diseases with EP4 receptor ligands, including EP4 receptor antagonists. Assays to determine the effect of test compounds on PGE2-induced whole blood cells activation.

  使用EP4受体配体，包括EP4受体拮抗剂，治疗涉及IL-6的疾病的方法。测定试验化合物对PGE2诱导的全血细胞激活的影响的试验。
• Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents
  申请人：Nakao Kazunari

  公开号：US20070155732A1

  公开（公告）日：2007-07-05

  This invention provides a compound of the formula (I): 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 prostaglamadin such as pain, fever or inflammation, etc. This invention also provides a pharmaceutical composition comprising the above compound.

  该发明提供了式（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个杂原子，例如O，N和S等; A为5-6成员的单环芳香环，可选含有最多3个杂原子，例如O，N和S等; B为C1-6烷基，可选用含有氧羰基等基团; 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个杂原子，例如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个杂原子，例如O，N和S等。这些化合物可用于治疗由前列腺素介导的医学状况，例如疼痛，发热或炎症等。该发明还提供了包括上述化合物的制药组合物。
• Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents.
  申请人：PFIZER PHARMACEUTICALS INC.

  公开号：EP1666480A1

  公开（公告）日：2006-06-07

  This invention provides a compound of the following formula: or salts thereof, and a compound of the following formula: or salts thereof, wherein Y1, Y2, Y3 and Y4 are independently selected from N, CH, etc.; R1 is H, C1-8 alkyl, etc.; A is an optionally substituted benzene or pyridine ring; B is C2-6 alkylene etc.; W is NH or O; and P is H, protecting group etc.. These compounds are useful as intermediates for the preparation of compounds for the treatment of medical conditions mediated by prostaglamndin such as pain, fever or inflammation, etc.

  本发明提供了一种下式化合物： 或其盐类、 和下式化合物： 或其盐、 其中 Y1、Y2、Y3 和 Y4 独立选自 N、CH 等；R1 是 H、C1-8 烷基等；A 是任选取代的苯环或吡啶环；B 是 C2-6 亚烷基等；W 是 NH 或 O；P 是 H、保护基等。这些化合物可作为中间体，用于制备治疗由前列腺素介导的病症（如疼痛、发热或炎症等）的化合物。
• EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS
  申请人：PFIZER PHARMACEUTICALS INC.

  公开号：EP1326606A2

  公开（公告）日：2003-07-16