2-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl phenyl carbonate | 415911-77-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl phenyl carbonate
• 英文别名: 2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl phenyl carbonate
• CAS: 415911-77-2
• 化学式: C₂₅H₂₀ClF₃N₂O₃
• 分子量: 488.894
• InChiKey: KRYRCBFJMFEZLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  吡啶-3-磺酰胺 、 2-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl phenyl carbonate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.17h， 以19%的产率得到2-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl 3-pyridinylsulfonylcarbamate
  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：

  2-[4-(6-chloro-2-ethyl-5-trifluoromethyl-1H-benzimidazol-1-yl)phenyl]ethyl propionate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 2-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl phenyl carbonate
  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 ANTI-INFLAMMATORY AND ANALGESIC AGENTS
  申请人：PFIZER PHARMACEUTICALS INC.

  公开号：EP1326864B1

  公开（公告）日：2006-03-15
• Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents.
  申请人：RaQualia Pharma Inc

  公开号：EP1666480B1

  公开（公告）日：2014-10-01