Ethyl 4-{[6-(4-benzylpiperidin-1-YL)-[1,2,5]oxadiazolo[3,4-B]pyrazin-5-YL]amino}benzoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Ethyl 4-{[6-(4-benzylpiperidin-1-YL)-[1,2,5]oxadiazolo[3,4-B]pyrazin-5-YL]amino}benzoate
• 英文别名: ethyl 4-[[5-(4-benzylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate
• 化学式: C₂₅H₂₆N₆O₃
• mdl: MFCD01029936
• 分子量: 458.5
• InChiKey: RBHIBOYCONEPEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• P38 MAPK INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：ALLINKY BIOPHARMA

  公开号：US20160194336A1

  公开（公告）日：2016-07-07

  The present invention provides new p38 mitogen activated protein (MAP) kinase allosteric inhibitors which are useful for the treatment of p38 mediated diseases such as inflammatory diseases, e.g. rheumatoid arthritis, osteoarthritis, psoriatic arthritis, pain, musculoskeletal system inflammation and musculoskeletal system aging. The present invention thus provides compounds for use in a method for treatment of inflammatory diseases, as well as for use in therapy in general, wherein the compound binds to the region composed of amino acids at positions 170-199 of Mitogen-activated protein kinase 14 (Uniprot accession nr Q16539 or SEQ ID No 1) and/or Mitogen-activated protein kinase 11 (Uniprot accession nr Q15759 or SEQ ID No 2), SEQ ID NO. 1 and SEQ ID NO. 2 being the amino acid sequences of MAPK14 (p38cx) and MAPK11 (p38β), respectively. The specific region composed of amino acids at positions 170-199 is herein disclosed as SEQ ID NO. 4 for Mitogen-activated protein kinase 14 and SEQ ID NO. 5 for Mitogen-activated protein kinase 11 and are believed to be new inhibitory binding sites.