8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-9-[(4-methylquinazolin-2-yl)methyl]-8H-purine-2,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-9-[(4-methylquinazolin-2-yl)methyl]-8H-purine-2,6-dione
• 化学式: C₂₅H₃₀N₈O₂
• 分子量: 474.6
• InChiKey: SHEGTOUXFKKREU-LFUZPPSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS
  申请人：Glenmark Pharmaceuticals Limited

  公开号：EP2885302A2

  公开（公告）日：2015-06-24
• [EN] PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INHIBITEURS DE DIPEPTIDYLPEPTIDASE
  申请人：GLENMARK PHARMACEUTICALS LTD GLENMARK GENERICS LTD

  公开号：WO2014033746A2

  公开（公告）日：2014-03-06

  The present invention provides a process for the preparation of linagliptin, a compound of Formula I, the process comprising deprotecting a compound of Formula II wherein R1 and R2 together with the nitrogen to which they are attached form a phthalimido group, wherein the aromatic ring of the phthalimido group is substituted with one or more R3 substituents selected from the group consisting of halogen, alkyi, nitro and amino; or R1 is H and R2 is selected from the group consisting of trialkylsilyl, 2-trialkylsilylethoxycarbamates, acetyl, trihaloacetyl,. 9- fluorenylmethoxycarbonyl, trityl, alkylsulfonyl, arylsulfonyl, diphenylphosphine and sulfonylethoxycarbonyl.