[4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid tert-butyl ester | 459201-64-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid tert-butyl ester
• 英文别名: tert-butyl 2-[4-(1,3-diethyl-2-oxobenzimidazol-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]acetate
• CAS: 459201-64-0
• 化学式: C₂₇H₃₂N₄O₃
• 分子量: 460.576
• InChiKey: HFJDCMMVMVJYNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  67.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid tert-butyl ester 以 二氯甲烷 、 三氟乙酸 为溶剂， 反应 18.0h， 以to give [4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid (0.107 g)的产率得到[4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid
  参考文献：
  名称：

  Novel benzimidazole anti-inflammatory compounds

  摘要：

  本发明涉及公式I1中的新型三唑嘧啶，其中Het是一个含有一到两个异原子（氮、硫和氧）的可选取代的5元杂环，其中至少一个异原子必须是氮；R2选自氢、（C1-C6）烷基或其他适当的取代基；R3选自氢、（C1-C6）烷基或其他适当的取代基；s是0-5的整数；以及制备它们的中间体、含有它们的制药组合物和它们的医药用途。本发明化合物是MAP激酶，特别是p38激酶的有效抑制剂。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心肌梗死的再灌注或缺血、自身免疫性疾病和其他疾病方面有用。

  公开号：

  US20030092749A1
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 1,3-Diethyl-5-(3-m-tolyl-1H-pyrazol-4-yl)-1,3-dihydro-benzoimidazol2-one 生成 [4-(1,3-Diethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-m-tolyl-pyrazol-1-yl]-acetic acid tert-butyl ester
  参考文献：
  名称：

  Novel benzimidazole anti-inflammatory compounds

  摘要：

  本发明涉及公式I的新型三唑基吡啶 其中Het是一个可选择取代的 含有一个到两个氮、硫和氧杂原子的5元杂环，其中至少一个杂原子必须是氮; R 2 选自由氢、(C 1 -C 6 )烷基或其他适当的取代基组成的群; R 3 选自由氢、(C 1 -C6)烷基或其他适当的取代基组成的群; s是0-5之间的整数; 用于它们的制备的中间体，含有它们的药物组合物以及它们的药用。本发明的化合物是MAP激酶，优选为p38激酶的有效抑制剂。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心脏病发中的再灌注或缺血、自身免疫疾病和其他疾病中有用。

  公开号：

  US20030092749A1

文献信息

• BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1370557B1

  公开（公告）日：2005-11-16
• US7056918B2
  申请人：——

  公开号：US7056918B2

  公开（公告）日：2006-06-06
• [EN] BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS<br/>[FR] COMPOSES DE BENZIMIDAZOLE ANTI-INFLAMMATOIRES
  申请人：PFIZER PROD INC

  公开号：WO2002072576A1

  公开（公告）日：2002-09-19

  The present invention relates to novel triazolo-pyridines of the formula (I) wherein Het is an optionally substituted 5-membered heterocycle containing one to two heteroatoms selected from nitrogen, sulfur and oxygen wherein at least one of said heteroatoms atoms must be nitrogen; R2 is selected from the group consisting of hydrogen, (C¿1?-C6)alkyl or other suitable substituents; R?3¿ is selected from the group consisting of hydrogen, (C¿1?-C6)alkyl or other suitable substituents; s is an integer from 0-5; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases, preferably p38 kinase. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, repurfusion of ischemia in stroke or heart attack, autoimmune diseases and other disorders.
• Novel benzimidazole anti-inflammatory compounds
  申请人：Pfizer Inc.

  公开号：US20030092749A1

  公开（公告）日：2003-05-15

  The present invention relates to novel triazolo-pyridines of the formula I 1 wherein Het is an optionally substituted 5 -membered heterocycle containing one to two heteroatoms selected from nitrogen, sulfur and oxygen wherein at least one of said heteroatoms atoms must be nitrogen; R 2 is selected from the group consisting of hydrogen, (C 1 -C 6 )alkyl or other suitable substituents; R 3 is selected from the group consisting of hydrogen, (C 1 -C6)alkyl or other suitable substituents; s is an integer from 0-5; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases, preferably p38 kinase. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, repurfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及公式I的新型三唑基吡啶 其中Het是一个可选择取代的 含有一个到两个氮、硫和氧杂原子的5元杂环，其中至少一个杂原子必须是氮; R 2 选自由氢、(C 1 -C 6 )烷基或其他适当的取代基组成的群; R 3 选自由氢、(C 1 -C6)烷基或其他适当的取代基组成的群; s是0-5之间的整数; 用于它们的制备的中间体，含有它们的药物组合物以及它们的药用。本发明的化合物是MAP激酶，优选为p38激酶的有效抑制剂。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心脏病发中的再灌注或缺血、自身免疫疾病和其他疾病中有用。
• Benzimidazole anti-inflammatory compounds
  申请人：Pfizer, Inc.

  公开号：US07056918B2

  公开（公告）日：2006-06-06

  The present invention relates to novel triazolo-pyridines of the formula I wherein Het is an optionally substituted 5-membered heterocycle containing one to two heteroatoms selected from nitrogen, sulfur and oxygen wherein at least one of said heteroatoms atoms must be nitrogen; R2 is selected from the group consisting of hydrogen, (C1–C6)alkyl or other suitable substituents; R3 is selected from the group consisting of hydrogen, (C1–C6)alkyl or other suitable substituents; s is an integer from 0–5; to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. The compounds of the present invention are potent inhibitors of MAP kinases, preferably p38 kinase. They are useful in the treatment of inflammation, osteoarthritis, rheumatoid arthritis, cancer, repurfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明涉及新型三唑嘧啶化合物，其化学式为I，其中Het是一个含有1-2个氮、硫或氧杂原子的可选取代的5元杂环，其中至少一个杂原子必须是氮；R2选自氢、(C1-C6)烷基或其他合适的取代基；R3选自氢、(C1-C6)烷基或其他合适的取代基；s为0-5的整数；以及其制备中间体、含有它们的制药组合物和它们的医药用途。本发明化合物是MAP激酶的有效抑制剂，优选为p38激酶。它们在治疗炎症、骨关节炎、类风湿性关节炎、癌症、中风或心脏病发作的再灌注或缺血、自身免疫性疾病和其他疾病中有用。