[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine | 454709-69-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine
• 英文别名: 1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert-butyloxycarbonyl-amino)-piperidin-1-yl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine；1-[2-(2-Nitrophenyl)-2-oxoethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert-butyloxycarbonylamino)piperidin-1-yl]xanthine；tert-butyl N-[1-[3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-nitrophenyl)-2-oxoethyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate
• CAS: 454709-69-4
• 化学式: C₂₉H₃₇N₇O₇
• 分子量: 595.655
• InChiKey: MVCSMSRQEQLNDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  43
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  163
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine 在 乙醇 、 水 、 铁粉 、 溶剂黄146 作用下， 生成 1-[2-(2-amino-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine
  参考文献：
  名称：

  [DE] PHENACYLXANTHINDERIVATE ALS DPP-IV-HEMMER
  [EN] PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR
  [FR] DERIVES DE XANTHINE, LEUR PRODUCTION ET LEUR UTILISATION COMME MEDICAMENTS

  摘要：

  公开号：

  WO2004018467A3
• 作为产物：
  描述：

  1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-chloro-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine 、 t-butyl piperidin-3-ylcarbamate 在 sodium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以54%的产率得到[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(3-methyl-2-buten-1-yl)-8-[3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine
  参考文献：
  名称：

  [DE] PHENACYLXANTHINDERIVATE ALS DPP-IV-HEMMER
  [EN] PHENACYL XANTHINE DERIVATIVES AS DPP-IV INHIBITOR
  [FR] DERIVES DE XANTHINE, LEUR PRODUCTION ET LEUR UTILISATION COMME MEDICAMENTS

  摘要：

  公开号：

  WO2004018467A3

文献信息

• Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions
  申请人：——

  公开号：US20020198205A1

  公开（公告）日：2002-12-26

  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中定义，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。
• 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。
• 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, their preparation and their use in pharmaceutical compositions
  申请人：Boehringer Ingelheim Pharma GmbH & Co. KG

  公开号：US20040166125A1

  公开（公告）日：2004-08-26

  Compounds of formula (I) 1 wherein R 1 to R 4 are defined as in the claims, or the prodrugs or salts thereof, particularly the physiologically acceptable salts thereof, pharmaceutical compositions containing these compounds, and methods of treating type I and type II diabetes mellitus, arthritis, obesity, allograft transplantation, or calcitonin-induced osteoporosis using these compounds.

  公式（I）1的化合物，其中R1至R4的定义如权利要求中所述，或其前药或盐，特别是其生理上可接受的盐，含有这些化合物的制药组合物，以及使用这些化合物治疗I型和II型糖尿病、关节炎、肥胖症、移植排斥反应或降钙素诱导的骨质疏松症的方法。