{6-chloro-1-[4-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)phenyl]-2-ethyl-1H-benzimidazol-5-yl}methyl propanoate | 415913-97-2

• 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: {6-chloro-1-[4-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)phenyl]-2-ethyl-1H-benzimidazol-5-yl}methyl propanoate
• 英文别名: [1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-6-chloro-2-ethylbenzimidazol-5-yl]methyl propanoate
• CAS: 415913-97-2
• 化学式: C₂₇H₃₇ClN₂O₃Si
• 分子量: 501.141
• InChiKey: AESNYKYZLDRNFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.26
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {6-chloro-1-[4-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)phenyl]-2-ethyl-1H-benzimidazol-5-yl}methyl propanoate 生成 [6-chloro-2-ethyl-1-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)oxy]ethyl}phenyl)-1H-benzimidazol-5-yl]methyl propanoate
  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
• 作为产物：
  描述：

  6-chloro-5-(chloromethyl)-1-[4-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)phenyl]-2-ethyl-1H-benzimidazole 在 碳酸氢钠 、 丙酸 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以235 mg (53%)的产率得到{6-chloro-1-[4-(2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}ethyl)phenyl]-2-ethyl-1H-benzimidazol-5-yl}methyl propanoate
  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：——

  公开号：US20030236260A1

  公开（公告）日：2003-12-25

  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.

  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。
• 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：——

  公开号：US20020077329A1

  公开（公告）日：2002-06-20

  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.

  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。