2-(8-[1,4]Diazepan-1-yl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-benzonitrile | 389060-14-4

• 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: 2-(8-[1,4]Diazepan-1-yl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-benzonitrile
• 英文别名: 2-[[8-(1,4-Diazepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile
• CAS: 389060-14-4
• 化学式: C₂₀H₂₃N₇O₂
• 分子量: 393.448
• InChiKey: XRIBCIOFSQNYHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  97.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  高哌嗪 、 2-(8-Chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ylmethyl)benzonitrile 在 三乙醇胺 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 异丙醇 为溶剂， 生成 2-(8-[1,4]Diazepan-1-yl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl)-benzonitrile
  参考文献：
  名称：

  Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV

  摘要：

  本发明涉及治疗活性和选择性抑制剂酶DPP-IV，包含该化合物的药物组合物以及利用这些化合物制造用于治疗与DPP-IV使蛋白质失活有关的疾病的药物，例如2型糖尿病和肥胖症，以及治疗与DPP-IV使蛋白质失活有关的疾病的方法，例如2型糖尿病和肥胖症。

  公开号：

  US20020161001A1

文献信息

• Xanthine derivatives,production and use thereof as medicament
  申请人：——

  公开号：US20040077645A1

  公开（公告）日：2004-04-22

  The present invention relates to substituted xanthines of general formula 1 wherein R 1 to R 4 are defined as in claim 1, the tautomers and the stereoisomers thereof, mixtures thereof, the prodrugs 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1的取代黄嘌呤，其中R1至R4如权利要求1所定义，其互变异构体和立体异构体，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。
• Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions
  申请人：Himmelsbach Frank

  公开号：US20060205711A1

  公开（公告）日：2006-09-14

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 4 are defined as in claim 1, the tautomers and the stereoisomers thereof, mixtures thereof, the prodrugs and the salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明涉及一般式为的取代黄嘌呤，其中R1至R4如权利要求1所定义的互变异构体和立体异构体，其混合物，以及具有有价值的药理学特性的前药和盐，特别是对酶二肽基肽酶-IV（DPP-IV）的抑制作用。
• Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions
  申请人：HIMMELSBACH Frank

  公开号：US20120035158A1

  公开（公告）日：2012-02-09

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 4 are defined as in claim 1 , the tautomers and the stereoisomers thereof, mixtures thereof, the prodrugs and the salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明涉及一般式为的取代黄嘌呤，其中R1至R4如权利要求1所定义，其互变异构体和立体异构体，其混合物，其前药和其盐具有有价值的药理特性，特别是对酶二肽基肽酶-IV（DPP-IV）活性的抑制作用。
• XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：HIMMELSBACH Frank

  公开号：US20130165428A1

  公开（公告）日：2013-06-27

  The present invention relates to substituted xanthines of general formula wherein R 1 to R 4 are defined as in claim 1 , the tautomers and the stereoisomers thereof, mixtures thereof, the prodrugs and the salts thereof which have valuable pharmacological properties, particularly an inhibiting effect on the activity of the enzyme dipeptidylpeptidase-IV (DPP-IV).

  本发明涉及一般式为的取代黄嘌呤，其中R1至R4如权利要求1所定义，其互变异构体和立体异构体，其混合物，其前药和其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。
• Heterocyclic compounds that are inhibitors of the enzyme DPP-IV
  申请人：NOVO NORDISK A/S

  公开号：EP1561752A1

  公开（公告）日：2005-08-10

  The present invention relates to therapeutically active and selective inhibitors of the enzyme DPP-IV, pharmaceutical compositions comprising the compounds and the use of such compounds for and the manufacture of medicaments for treating diseases that are associated with proteins which are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity, as well as methods for treating diseases that are associated with proteins which are subject to inactivation by DPP-IV, such as type 2 diabetes and obesity.

  本发明涉及具有治疗活性和选择性的DPP-IV酶抑制剂、包含这些化合物的药物组合物、使用这些化合物治疗与DPP-IV灭活的蛋白质有关的疾病（如2型糖尿病和肥胖症）的药物以及治疗与DPP-IV灭活的蛋白质有关的疾病（如2型糖尿病和肥胖症）的方法。