1-[(dibenzo[b,f][1,4]oxazepin-11yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-amino-piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione | 690996-73-7

• 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: 1-[(dibenzo[b,f][1,4]oxazepin-11yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-amino-piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 8-(3-Aminopiperidin-1-yl)-1-(benzo[b][1,4]benzoxazepin-6-ylmethyl)-7-but-2-ynyl-3-methylpurine-2,6-dione
• CAS: 690996-73-7
• 化学式: C₂₉H₂₉N₇O₃
• 分子量: 523.594
• InChiKey: XWEOHAJQVMIKGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040138214A1

  公开（公告）日：2004-07-15

  Disclosed are substituted xanthines of general formula 1 wherein R 1 to R 4 are defined hereinbelow, the tautomers, the stereoisomers, the mixtures thereof, the prodrugs thereof and the salts thereof, which have valuable pharmacological properties, particularly an inhibitory effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明涉及一般式1的取代黄嘌呤，其中R1至R4的定义如下，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，特别是对二肽基肽酶-IV（DPP-IV）酶活性具有抑制作用。
• XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：HIMMELSBACH Frank

  公开号：US20090093457A1

  公开（公告）日：2009-04-09

  Disclosed are substituted xanthines of general formula wherein R 1 to R 4 are defined hereinbelow, the tautomers, the stereoisomers, the mixtures thereof, the prodrugs thereof and the salts thereof, which have valuable pharmacological properties, particularly an inhibitory effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明公开了一种通式为的取代黄嘌呤，其中R1至R4的定义如下，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（DPP-IV）的抑制作用。
• NEUE XANTHINDERIVATE, DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS ARZNEIMITTEL
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：EP1562946B1

  公开（公告）日：2010-05-26
• 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
• PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2190434B1

  公开（公告）日：2019-04-17