2-[N-(2-aminoethyl)-N-methyl-amino]-3-(2-butyn-1-yl)-5-[(4-methyl-quinazolin-2-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-[N-(2-aminoethyl)-N-methyl-amino]-3-(2-butyn-1-yl)-5-[(4-methyl-quinazolin-2-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
• 英文别名: 2-[N-(2-aminoethyl)-N-methyl-amino]-3-(2-butyn-1-yl)-5-[(4-methyl-quinazolin-2-yl) methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one；2-[2-aminoethyl(methyl)amino]-3-but-2-ynyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
• 化学式: C₂₂H₂₄N₈O
• 分子量: 416.486
• InChiKey: KVPGFCMNZYFYME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-bromo-3-(but-2-ynyl)-5-(4-methyl-quinazolin-2-ylmethyl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one 、 N-甲基乙二胺 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 8.0h， 以29%的产率得到2-[N-(2-aminoethyl)-N-methyl-amino]-3-(2-butyn-1-yl)-5-[(4-methyl-quinazolin-2-yl)methyl]-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions

  摘要：

  本发明涉及一般公式中R1至R4和X如索权1至6中定义的2-氨基咪唑并[4,5-d]吡啶并[4,5-c]吡啶-4-酮以及其互变异构体、对映异构体、非对映异构体、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）的抑制作用。

  公开号：

  US20050234235A1

文献信息

• 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions
  申请人：Eckhardt Matthias

  公开号：US20050234235A1

  公开（公告）日：2005-10-20

  The present invention relates to 2-amino-imidazo[4,5-d]pyridazin-4-ones and 2-amino-imidazo[4,5-c]pyridin-4-ones of general formula wherein R 1 to R 4 and X are defined as in claims 1 to 6 , the tautomers, the enantiomers, the 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).

  本发明涉及一般公式中R1至R4和X如索权1至6中定义的2-氨基咪唑并[4,5-d]吡啶并[4,5-c]吡啶-4-酮以及其互变异构体、对映异构体、非对映异构体、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）的抑制作用。
• 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：Eckhardt Matthias

  公开号：US20070088038A1

  公开（公告）日：2007-04-19

  The present invention relates to 2-amino-imidazo[4,5-d]pyridazin-4-ones and 2-amino-imidazo[4,5-c]pyridin-4-ones of general formula wherein R 1 to R 4 and X are defined as in claims 1 to 6 , the tautomers, the enantiomers, the 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).

  本发明涉及通式为的2-氨基咪唑[4,5-d]吡啶并嘧啶-4-酮和2-氨基咪唑[4,5-c]吡啶-4-酮，其中R1至R4和X如权利要求1至6所定义，其互变异构体、对映异构体、顺反异构体、混合物和盐具有有价值的药理学特性，特别是对二肽基肽酶-IV（DPP-IV）酶活性的抑制作用。
• 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS
  申请人：ECKHARDT Matthias

  公开号：US20090088569A1

  公开（公告）日：2009-04-02

  The present invention relates to 2-amino-imidazo[4,5-d]pyridazin-4-ones and 2-amino-imidazo[4,5-c]pyridin-4-ones of general formula wherein R 1 to R 4 and X are defined as in claims 1 to 6 , the tautomers, the enantiomers, the 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).

  本发明涉及通式为的2-氨基咪唑[4,5-d]吡啶嗪-4-酮和2-氨基咪唑[4,5-c]吡啶-4-酮，其中R1至R4和X如权利要求1至6所定义，其互变异构体、对映异构体、非对映异构体、混合物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(DPP-IV)活性的抑制作用。
• US7179809B2
  申请人：——

  公开号：US7179809B2

  公开（公告）日：2007-02-20
• US7476671B2
  申请人：——

  公开号：US7476671B2

  公开（公告）日：2009-01-13