1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(but-2-ynyl)-8-[(R)-3-(tert-butoxycarbonylamino)-piperidin-1-yl]-xanthine | 666816-96-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(but-2-ynyl)-8-[(R)-3-(tert-butoxycarbonylamino)-piperidin-1-yl]-xanthine
• 英文别名: 1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-(tert-butoxycarbonylamino)-piperidin-1-yl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine；1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine；1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-xanthine；1-[2-(2-nitrophenyl)-2-oxoethyl]-3-methyl-7-(2-butyn-1-yl)-8-[(R)-3-(tert-butyloxycarbonylamino)piperidin-1-yl]xanthine；tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[2-(2-nitrophenyl)-2-oxoethyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate
• CAS: 666816-96-2
• 化学式: C₂₈H₃₃N₇O₇
• 分子量: 579.613
• InChiKey: GTQRYYITVWWQSK-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 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：

  1-[2-(2-nitro-phenyl)-2-oxo-ethyl]-3-methyl-7-(but-2-ynyl)-8-[(R)-3-(tert-butoxycarbonylamino)-piperidin-1-yl]-xanthine 在 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 生成 1-[2-(2-amino-phenyl)-2-oxo-ethyl]-3-methyl-7-(but-2-ynyl)-8-[(R)-3-(tert-butoxycarbonylamino)-piperidin-1-yl]-xanthine
  参考文献：
  名称：

  8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions

  摘要：

  本发明涉及通式所示的取代黄嘌呤，其中R如权利要求书中所定义，其互变体、立体异构体、其混合物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）活性的抑制作用。

  公开号：

  US20050234108A1

文献信息

• 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions
  申请人：Himmelsbach Frank

  公开号：US20050234108A1

  公开（公告）日：2005-10-20

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

  本发明涉及通式所示的取代黄嘌呤，其中R如权利要求书中所定义，其互变体、立体异构体、其混合物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）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, 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。
• Xanthine derivates, their preparation and their use in pharmaceutical compositions
  申请人：Boehringer Ingelheim International GmbH

  公开号：US07838529B2

  公开（公告）日：2010-11-23

  Compounds of formula (I) wherein R1 is a phenylcarbonylmethyl group wherein the phenyl moiety is substituted by R10 and R11 and R2 to R4 and R10 and R1l 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 II diabetes mellitus and obesity using these compounds.

  化合物的公式（I），其中R1是苯甲酰甲基基团，其中苯基由R10和R11取代，R2至R4和R10和R1l如权利要求所定义，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II型糖尿病和肥胖症的方法。