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发现氮杂螺环 1H-3,4,5-三取代吡唑类化合物作为新型 G2019S-LRRK2 选择性激酶抑制剂。

Discovery of azaspirocyclic 1H-3,4,5-Trisubstitued pyrazoles as novel G2019S-LRRK2 selective kinase inhibitors.

机构信息

Medicinal Chemistry Knowledge Center, Sarafan ChEM-H, Stanford University, Stanford, CA, 94305, USA; Department of Pathology, 300 Pasteur Drive, Stanford University, Stanford, CA, 94305, USA.

Department of Pathology, 300 Pasteur Drive, Stanford University, Stanford, CA, 94305, USA.

出版信息

Eur J Med Chem. 2022 Nov 15;242:114693. doi: 10.1016/j.ejmech.2022.114693. Epub 2022 Aug 24.

Abstract

Mutations in the Leucine Rich Repeat Protein Kinase 2 gene (LRRK2) are genetic predispositions for Parkinson's Disease, of which the G2019S (GS) missense mutation is the most common. GS-LRRK2 has a hyperactive kinase, and although numerous drug discovery programs have targeted the LRRK2 kinase, few have reached clinical trials. We recently reported on the discovery of a novel LRRK2 kinase inhibitor chemotype, 1H-pyrazole biaryl sulfonamides. Although both potent and selective GS-LRRK2 inhibitors, 1H-pyrazole biaryl sulfonamides are incapable of crossing the blood-brain barrier. Retaining the core 1H-pyrazole and focusing our efforts on a phenylsulfonamide bioisosteric replacement, we report the discovery and preliminary development of azaspirocyclic 1H-3,4,5-trisubstituted pyrazoles as potent and selective (>2000-fold) GS-LRRK2 kinase inhibitors capable of entering rodent brain. The compounds disclosed here present an excellent starting point for the development of more brain penetrant compounds.

摘要

LRRK2 基因(LRRK2)中的突变是帕金森病的遗传易感性,其中 G2019S(GS)错义突变最为常见。GS-LRRK2 具有超活性激酶,尽管有许多药物发现计划针对 LRRK2 激酶,但很少有进入临床试验。我们最近报道了一种新型 LRRK2 激酶抑制剂化学型,1H-吡唑联芳磺酰胺。尽管 1H-吡唑联芳磺酰胺都是强效和选择性的 GS-LRRK2 抑制剂,但它们无法穿过血脑屏障。为了保留核心 1H-吡唑并专注于苯磺酰胺的生物等排体替换,我们报告了发现和初步开发作为强效和选择性(>2000 倍)GS-LRRK2 激酶抑制剂的氮杂螺环 1H-3,4,5-三取代吡唑,能够进入啮齿动物大脑。这里公开的化合物为开发更具脑渗透性的化合物提供了极好的起点。

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