(methyl-5 tetrahydro-2,3,4,5 thion-3 pyridazinyl-6)-7 tetrazolo <1,5-a> quinoleine | 135498-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (methyl-5 tetrahydro-2,3,4,5 thion-3 pyridazinyl-6)-7 tetrazolo <1,5-a> quinoleine
• 英文别名: 4-methyl-3-(tetrazolo[1,5-a]quinolin-7-yl)-4,5-dihydro-1H-pyridazine-6-thione
• CAS: 135498-77-0
• 化学式: C₁₄H₁₂N₆S
• 分子量: 296.355
• InChiKey: SPVNCTJPHMXCRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  99.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (methyl-5 tetrahydro-2,3,4,5 pyridazinon-3-yl-6)-7 tetrazolo <1,5-a> quinoleine 在 吡啶 、 tetraphosphorus decasulfide 作用下， 反应 2.0h， 以70%的产率得到(methyl-5 tetrahydro-2,3,4,5 thion-3 pyridazinyl-6)-7 tetrazolo <1,5-a> quinoleine
  参考文献：
  名称：

  Dérivés de triazolo[4,3-a]quinoléines et de tétrazolo[1,5-a]quinoléines synthèse, évaluation pharmacologique en tant qu'agents antiagrégants plaquettaires agissant par inhibition de phosphodiestérases

  摘要：

  The lactame-triazole or lactame-tetrazole isostery applied to the quinolinone lactames of compound Y-590 or cilostazole lead to compounds which show similar potencies on platelet specific phosphodiesterase inhibition, platelet aggregation inhibition and antithrombotic effects. On the other hand a supplementary isostery of the same type applied to the pyridazinone carbonyl group of compound Y-590 resulted in a dramatic loss of activity illustrating the importance of the pyridazinone moiety for the observed effects. However, this lactame carbonyl group can be replaced by an amidine or a thioamide group with retention of the activities.

  DOI：

  10.1016/0223-5234(91)90028-l

文献信息

• Dérivés de triazolo[4,3-a]quinoléines et de tétrazolo[1,5-a]quinoléines synthèse, évaluation pharmacologique en tant qu'agents antiagrégants plaquettaires agissant par inhibition de phosphodiestérases
  作者：P Desos、G Schlewer、C Lugnier、A Beretz、JP Maffrand、A Bernat、CG Wermuth

  DOI：10.1016/0223-5234(91)90028-l

  日期：1991.3

  The lactame-triazole or lactame-tetrazole isostery applied to the quinolinone lactames of compound Y-590 or cilostazole lead to compounds which show similar potencies on platelet specific phosphodiesterase inhibition, platelet aggregation inhibition and antithrombotic effects. On the other hand a supplementary isostery of the same type applied to the pyridazinone carbonyl group of compound Y-590 resulted in a dramatic loss of activity illustrating the importance of the pyridazinone moiety for the observed effects. However, this lactame carbonyl group can be replaced by an amidine or a thioamide group with retention of the activities.