tert-butyl (3S)-3-[[(1S)-1-cyano-2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl (3S)-3-[[(1S)-1-cyano-2-[4-(4-ethylsulfonylphenyl)phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
• 化学式: C₃₀H₃₇N₃O₅S
• 分子量: 551.707
• InChiKey: MDMJHBJKSIFHJJ-ONTZMDMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C<br/>[FR] (BENZYL-CYANO-MÉTHYL)-AMIDES DE L'ACIDE 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIQUE SUBSTITUÉS INHIBITEURS DE LA CATHEPSINE C
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014140091A1

  公开（公告）日：2014-09-18

  This invention relates to 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. asthma and allergic diseases, gastrointestinal inflammatory diseases, eosinophilic diseases, chronic obstructive pulmonary disease, infection by pathogenic microbes, rheumatoid arthritis or atherosclerosis.

  本发明涉及式为1的2-Aza-bicyclo[2.2.2]octane-3-羧酸（苄基-氰基-甲基）-酰胺及其作为Cathepsin C抑制剂的用途，包含它们的制药组合物，以及将它们用作治疗和/或预防与二肽基肽酶I活性相关的疾病的药物，例如哮喘和过敏性疾病，胃肠道炎症性疾病，嗜酸性疾病，慢性阻塞性肺疾病，致病微生物感染，类风湿性关节炎或动脉粥样硬化疾病。
• SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2970252B1

  公开（公告）日：2020-06-03
• US20140275159A1
  申请人：——

  公开号：US20140275159A1

  公开（公告）日：2014-09-18
• METHOD OF USING SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C
  申请人：ANDERSKEWITZ Ralf

  公开号：US20140378504A1

  公开（公告）日：2014-12-25

  This invention relates to 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides of formula 1 and their use as inhibitors of Cathepsin C, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases connected with dipeptidyl peptidase I activity, e.g. respiratory diseases.
• US8877775B2
  申请人：——

  公开号：US8877775B2

  公开（公告）日：2014-11-04