1-[(4-甲基-喹唑啉-2-基)甲基]-3-甲基-7-(2-丁炔-1-基)-8-(3-(S)-氨基-哌啶-1-基)-2,6-二羰基-2,3,6,7-四氢-1H-嘌呤 | 668270-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 1-[(4-甲基-喹唑啉-2-基)甲基]-3-甲基-7-(2-丁炔-1-基)-8-(3-(S)-氨基-哌啶-1-基)-2,6-二羰基-2,3,6,7-四氢-1H-嘌呤
• 中文别名: 利拉利汀杂质J；利拉利汀杂质G
• 英文名称: Linagliptin Impurity G
• 英文别名: 8-[(3S)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
• CAS: 668270-11-9
• 化学式: C₂₅H₂₈N₈O₂
• 分子量: 472.5
• InChiKey: LTXREWYXXSTFRX-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS
  申请人：GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED

  公开号：US20150239887A1

  公开（公告）日：2015-08-27

  Provided is a process for the preparation of linagliptin of Formula I, comprising deprotecting a compound of Formula II wherein R 1 and R 2 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 R 3 substituents selected from the group consisting of halogen, alkyi, nitro and amino; or R 1 is H and R 2 is selected from the group consisting of trialkylsilyl, 2-trialkylsilylethoxycarbamates, acetyl, trihaloacetyl, 9-fluorenylmethoxycarbonyl, trityl, alkylsulfonyl, arylsulfonyl, diphenylphosphine and sulfonylethoxycarbonyl.

  本发明提供了一种制备式I的利那格列汀的方法，包括去保护式II化合物，其中R1和R2与它们附着的氮形成邻苯二甲酰亚胺基团，其中邻苯二甲酰亚胺基团的芳环被选自卤素，烷基，硝基和氨基的一个或多个R3取代基所取代；或者R1为H，R2被选自三烷基硅基，2-三烷基硅基乙氧基羰基，乙酰基，三卤乙酰基，9-芴基甲氧基羰基，三苯甲基，烷基磺酰基，芳基磺酰基，二苯基膦和磺酰乙氧基羰基的群组。
• 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Himmelsbach Frank

  公开号：US20080255159A1

  公开（公告）日：2008-10-16

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 3 are defined as in claims 1 to 16 , the tautomers, the stereoisomers, the mixtures, the prodrugs thereof and the salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明涉及一般式的取代黄嘌呤，其中R1至R3的定义如权利要求1至16所述，其互变异构体、立体异构体、混合物、前药和盐具有有价值的药理特性，特别是对酶二肽基肽酶-IV（DPP-IV）的抑制作用。
• 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040097510A1

  公开（公告）日：2004-05-20

  The present invention relates to substituted xanthines of general formula 1 wherein R 1 to R 3 are defined as in claims 1 to 16, the tautomers, the stereoisomers, the mixtures, the prodrugs thereof and the salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on the activity of the enzyme dipeptidylpeptidase-IV (DPI-IV).

  本发明涉及一般式1的取代黄嘌呤，其中R1至R3的定义如权利要求1至16所述，其互变异构体、立体异构体、混合物、前药及其盐具有有价值的药理学特性，特别是对酶二肽基肽酶-IV（DPI-IV）的抑制作用。
• 8-[3-AMINO-PIPERIDIN-1-YL] -XANTHINE, DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS ARZNEIMITTEL
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1532149B9

  公开（公告）日：2011-04-20
• PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2190434A2

  公开（公告）日：2010-06-02