N2-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine | 415908-03-1

• 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: N2-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine
• 英文别名: 2-N-[4-(2-chloroethyl)phenyl]-4,6-dimethylpyridine-2,3-diamine
• CAS: 415908-03-1
• 化学式: C₁₅H₁₈ClN₃
• 分子量: 275.781
• InChiKey: DLGMEEGVDXKTFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  50.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-噻唑基)丙 酸 、 N2-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 5.0h， 以53%的产率得到3-[4-(2-chloroethyl)phenyl]-5,7-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine
  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：

  N-[4-(2-chloroethyl)phenyl]-N-(4,6-dimethyl-3-nitro-2-pyridinyl)amine 生成 N2-[4-(2-chloroethyl)phenyl]-4,6-dimethyl-2,3-pyridinediamine
  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

• 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：Pfizer Inc.

  公开号：US07141580B2

  公开（公告）日：2006-11-28

  This invention provides a compound of the formula (I): or the pharmaceutically acceptable salts thereof, wherein Y1, Y2, Y3 and Y4 are independently selected from N, CH, etc.; R1 is H, C1-8 alkyl, etc.; Q1 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 C1-6 alkylene optionally substituted with an oxo group, etc.; W is NH, O, etc.; R2 is H, C1-4 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, C1-4 alkyl, etc.; m is 0, 1 or 2; R3 and R4 are independently selected from H and C1-4 alkyl; R5 is H, C1-4 alkyl, etc.; Q2 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独立地选择自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O、N和S等最多4个杂原子；A为5-6成员的单环芳香环，可选含有O、N和S等最多3个杂原子；B为C1-6烷基，可选取代一个氧代基等；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O、N和S等最多3个杂原子；L为卤素、C1-4烷基等；m为0、1或2；R3和R4独立地选择自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O、N和S等最多3个杂原子。这些化合物对于治疗由前列腺素介导的医疗条件，如疼痛、发热或炎症等，是有用的。本发明还提供了包含上述化合物的药物组合物。
• 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。
• 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
• [EN] EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS<br/>[FR] INHIBITEURS DU RECEPTEUR EP4 DESTINES AU TRAITEMENT DE LA POLYARTHRITE RHUMATOIDE
  申请人：PFIZER PHARMA

  公开号：WO2002032422A2

  公开（公告）日：2002-04-25

  The invention features a method of treating rheumatoid arthritis in a mammal comprising administering an agent that inhibits prostaglandin EP4 receptor (EP4) activity. Also featured is a method of identifying agents that selectively inhibit EP4 activity in vivo.