Dipartimento Farmaco Chimico Tecnologico and European Research Centre for Drug Discovery and Development, Università degli Studi di Siena, Via A. Moro, 53100 Siena, Italy.
J Med Chem. 2011 Oct 27;54(20):7165-75. doi: 10.1021/jm200770f. Epub 2011 Sep 26.
As a further development of our large program focused on the medicinal chemistry of translocator protein [TSPO (18 kDa)] ligands, a new class of compounds related to alpidem has been designed using SSR180575, emapunil, and previously published pyrrolo[3,4-b]quinoline derivatives 9 as templates. The designed compounds were synthesized by alkylation of the easily accessible 4-methyl-2-phenyl-1H-pyrazolo[3,4-b]quinolin-3(2H)-one derivatives 13-15 with the required bromoacetamides. Along with the expected 2-(4-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]quinolin-1-yl)acetamide derivatives 10, 2-(4-methyl-3-oxo-2-phenyl-2H-pyrazolo[3,4-b]quinolin-9(3H)-yl)acetamide isomers 11 were isolated and characterized. The high TSPO affinity shown by new pyrazolo[3,4-b]quinoline derivatives 10 and especially 11 leads the way to further expand the chemical diversity in TSPO ligands and provides new templates and structure-affinity relationship data potentially useful in the design of new anxiolytic and neuroprotective agents.
作为我们专注于 translocator 蛋白 [TSPO(18 kDa)] 配体药物化学的大型项目的进一步发展,以 SSR180575、emapunil 和以前发表的吡咯并[3,4-b]喹啉衍生物 9 为模板,设计了一类与 alpidem 相关的新化合物。设计的化合物通过用所需的溴乙酰胺对易得的 4-甲基-2-苯基-1H-吡唑并[3,4-b]喹啉-3(2H)-酮衍生物 13-15 进行烷基化来合成。除了预期的 2-(4-甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑并[3,4-b]喹啉-1-基)乙酰胺衍生物 10 外,还分离和表征了 2-(4-甲基-3-氧代-2-苯基-2H-吡唑并[3,4-b]喹啉-9(3H)-基)乙酰胺异构体 11。新的吡唑并[3,4-b]喹啉衍生物 10 特别是 11 表现出的高 TSPO 亲和力为进一步扩大 TSPO 配体的化学多样性开辟了道路,并提供了新的模板和结构亲和力关系数据,这可能有助于设计新的抗焦虑和神经保护剂。