Methyl 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Methyl 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene-2-carboxylate
• 英文别名: methyl 4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene-2-carboxylate
• 化学式: C₂₁H₂₁N₃O₂
• 分子量: 347.4
• InChiKey: AYZKVSFPQFFHFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS<br/>[FR] DÉRIVÉS DE BENZOTRIAZOLE TRISUBSTITUÉS À TITRE D'INHIBITEURS DE DIHYDROOROTATE OXYGÉNASE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2014128669A2

  公开（公告）日：2014-08-28

  The present invention provides trisubstituted benzotriazole derivatives as dihydroorotate oxygenase inhibitor compounds of formula (I), which may be therapeutically useful as DHODH inhibitors. (I) wherein, R1, R2 and R3 have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage in inhibiting DHODH. The present invention also provides methods for synthesizing trisubstituted benzotriazole derivatives of formula (I). The present invention also provides pharmaceutical formulations comprising at least one of the DHODH inhibitor compound of formula (I) together with a pharmaceutically acceptable carrier, diluent or excipient.