2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide
• 化学式: C₂₃H₃₀N₆O₄
• 分子量: 454.5
• InChiKey: HMPQTEPEMQZWQH-QZTJIDSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• COMPOSITIONS AND METHODS RELATING TO LYME DISEASE
  申请人：The United States of America, as represented by the Secretary, Dep. of Health and Human Services

  公开号：US20150293096A1

  公开（公告）日：2015-10-15

  Compositions and methods of the present invention relating to B. burgdorferi HtrA sensu lato (BbHtrA) protease activity, its substrates, cleavage products, biological effects and use in detection, diagnosis and/or treatment of Lyme disease are provided.
• US9383360B2
  申请人：——

  公开号：US9383360B2

  公开（公告）日：2016-07-05
• [EN] SELECTIVE INHIBITORS OF NEUTROPHIL ELASTASE FOR TREATING NEUROPATHIC PAIN AND CHRONIC PAIN STATES HARBOURING A NEUROPATHIC COMPONENT<br/>[FR] INHIBITEURS SÉLECTIFS DE L'ÉLASTASE NEUTROPHILIQUE POUR TRAITER DES ÉTATS DE DOULEUR NEUROPATHIQUE ET DE DOULEUR CHRONIQUE COMPRENANT UNE COMPOSANTE NEUROPATHIQUE
  申请人：RUPRECHT KARLS UNIVERSITÄT HEIDELBERG

  公开号：WO2016050835A2

  公开（公告）日：2016-04-07

  The present invention relates to selective inhibitors of neutrophil elastase, also called leukocyte elastase (LE) for use in the diagnosis, prognosis, prevention and/or treatment of neuropathic pain and chronic pain states harbouring a neuropathic component. The present invention further relates to pharmaceutical compositions and methods of diagnosing, prognosing, preventing and/or treating neuropathic pain and chronic pain states harbouring a neuropathic component.