2-[3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-5-[(dibenzo[b,f][1,4]-oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one | 813462-65-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 2-[3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-5-[(dibenzo[b,f][1,4]-oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
• 英文别名: 2-[3-(Tert.-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-5-[(dibenzo[b,f][1,4]-oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one；tert-butyl N-[1-[5-(benzo[b][1,4]benzoxazepin-6-ylmethyl)-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-2-yl]piperidin-3-yl]carbamate
• CAS: 813462-65-6
• 化学式: C₃₃H₃₅N₇O₄
• 分子量: 593.685
• InChiKey: QUWYQVMZRSHKJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-5-[(dibenzo[b,f][1,4]-oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以63%的产率得到2-(3-amino-piperidin-1-yl)-3-(2-butyn-1-yl)-5-[(dibenzo[b,][1,4]oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions

  摘要：

  本发明涉及通式所示的取代咪唑吡啶酮和咪唑吡啶酮，其中Y和R1至R4如权利要求1中所定义，其互变异构体、对映体、非对映体、它们的混合物及其盐，具有有价值的药理特性，特别是对二肽基肽酶-IV（DPP-IV）酶活性的抑制作用。

  公开号：

  US20050026921A1
• 作为产物：
  描述：

  dibenzo[b,f][1,4]oxazepine-11-ylmethylene chloride 、 2-[3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.0h， 以20%的产率得到2-[3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-3-(2-butyn-1-yl)-5-[(dibenzo[b,f][1,4]-oxazepin-11-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  [DE] IMIDAZOPYRIDAZINON- UND IMIDAZOPYRIDONDERIVATE, DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS ARZNEIMITTEL
  [EN] IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS
  [FR] DERIVES D'IMIDAZOPYRIDAZINONES ET D'IMIDAZOPYRIDONES, LEUR PREPARATION ET LEUR UTILISATION COMME MEDICAMENTS

  摘要：

  This invention relates to substituted imidazo-pyridinones and imidazo-pyridazinones of general formula (I), where Y and R1 to R4 are as defined in claim 1, their tautomers, enantiomers, diastereomers, mixtures thereof, and their salts, which possess valuable pharmacological properties, particularly inhibitory effects on the activity of the enzyme dipeptidyl peptidase-IV (DPP-IV).

  公开号：

  WO2004111051A1

文献信息

• [DE] IMIDAZOPYRIDAZINON- UND IMIDAZOPYRIDONDERIVATE, DEREN HERSTELLUNG UND DEREN VERWENDUNG ALS ARZNEIMITTEL<br/>[EN] IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS<br/>[FR] DERIVES D'IMIDAZOPYRIDAZINONES ET D'IMIDAZOPYRIDONES, LEUR PREPARATION ET LEUR UTILISATION COMME MEDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2004111051A1

  公开（公告）日：2004-12-23

  Die vorliegende Erfindung betrifft substituierte Imidazo-pyridinone und Imidazo-pyridazinone der allgemeinen Formel (I), in der Y sowie R1 bis R4 wie in Anspruch 1 definiert sind, deren Tautomere, Enantiomere, Diastereomere, deren Gemische und deren Salze, welche wertvolle pharmakologische Eigenschaften aufweisen, insbesondere eine Hemmwirkung auf die Aktivität des Enzyms Dipeptidylpeptidase-IV (DPP-IV).

  This invention relates to substituted imidazo-pyridinones and imidazo-pyridazinones of general formula (I), where Y and R1 to R4 are as defined in claim 1, their tautomers, enantiomers, diastereomers, mixtures thereof, and their salts, which possess valuable pharmacological properties, particularly inhibitory effects on the activity of the enzyme dipeptidyl peptidase-IV (DPP-IV).
• IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：ECKHARDT Matthias

  公开号：US20090258856A1

  公开（公告）日：2009-10-15

  The present invention relates to substituted imidazo-pyridinones and imidazo-pyridazinones of general formula wherein Y and R 1 to R 4 are defined as in claim 1 , the tautomers, enantiomers, diastereomers, 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).

  本发明涉及通式如下的取代咪唑吡啶酮和咪唑吡嗪酮： 其中Y和R1至R4的定义如权利要求1所述，它们的互变异构体、对映异构体、顺反异构体、其混合物和盐具有有价值的药理学性质，特别是对二肽基肽酶-IV（DPP-IV）酶活性的抑制作用。
• Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions
  申请人：Boehringer Ingelheim International GmbH

  公开号：US07566707B2

  公开（公告）日：2009-07-28

  The present invention relates to substituted imidazo-pyridinones and imidazo-pyridazinones of general formula wherein Y and R1 to R4 are defined as in claim 1, the tautomers, enantiomers, diastereomers, 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).

  本发明涉及通式中Y和R1到R4如权利要求1所定义的取代咪唑吡啶酮和咪唑吡嗪酮，它们的互变异构体、对映异构体、二对映异构体、混合物及其盐，具有有价值的药理学性质，特别是对二肽基肽酶IV（DPP-IV）酶活性的抑制作用。
• US7566707B2
  申请人：——

  公开号：US7566707B2

  公开（公告）日：2009-07-28
• US8034941B2
  申请人：——

  公开号：US8034941B2

  公开（公告）日：2011-10-11