1-[(5-methoxy-quinolin-8-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-amino-piperidin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine trifluoroacetate | 668270-63-1

• 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-[(5-methoxy-quinolin-8-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-amino-piperidin-1-yl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine trifluoroacetate
• 英文别名: 8-(3-Aminopiperidin-1-yl)-7-but-2-ynyl-1-[(5-methoxyquinolin-8-yl)methyl]-3-methylpurine-2,6-dione;2,2,2-trifluoroacetic acid
• CAS: 668270-63-1
• 化学式: C₂HF₃O₂*C₂₆H₂₉N₇O₃
• 分子量: 601.585
• InChiKey: UFBPGUAXBMJOJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20150291627A1

  公开（公告）日：2015-10-15

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 3 are as defined herein, 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如本文所定义，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）的活性有抑制作用。
• 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions
  申请人：HIMMELSBACH Frank

  公开号：US20120208831A1

  公开（公告）日：2012-08-16

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 3 are as defined herein, 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).

  本发明涉及一种一般式为R1至R3如定义所述的取代黄嘌呤，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学性质，特别是对酶二肽基肽酶-IV（DPP-IV）的抑制作用。
• US8664232B2
  申请人：——

  公开号：US8664232B2

  公开（公告）日：2014-03-04
• US9321791B2
  申请人：——

  公开号：US9321791B2

  公开（公告）日：2016-04-26