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PMID: 42054654 已发表 · ppublish 英语

Discovery of Potent and Selective Benzothiophene Difluoromethyl Phosphonate (DFMP) PTPN2/N1-Dual Inhibitors.

Journal of medicinal chemistry ·第 69 卷 ·第 9 期 ·2026-05-14

Zheng XM, Candito DA, Jewell J, Childers M, Kawamura S, Logan KM, Otte RD, Yeung CS, Xiao D, Liu P, DeMong DE, Huang C, Sanyal S, McGowan M, Levi SM, Schneider SE, Fradera X, Palte RL, Lyons TW, Poremba KE, Miller JR, Chai X, Xu Z, Musisi I, Mansueto MS, Venkataraman S, Moy LY, Zhang M, Yang Y, Cheng M, McLeod R, Laskey J, Angagaw M, Smith DM, Varkhede N, Muise ES, Bass A, Walraven J, Doty A, Yu H, Rath B, Engstrom L, Wang H, Follmer NE, Slavonic M, Ehrenberger T, Nicholson B, Haining WN, Bennett DJ, DiMauro EF, Machacek MR, Shumway S

摘要

PTPN1 and PTPN2 are interesting targets for immuno-oncology due to their ability to modulate IFNγ signaling and T-cell activity. We report the discovery of benzothiophene difluoromethyl phosphonate (DFMP) inhibitors with potent dual PTPN1/PTPN2 activity. Structure-based design and a late-stage Ir-catalyzed C-H borylation enabled C5/C7-disubstituted designs that produced a marked inflection in potency. Systematic vector optimization improved potency, selectivity, and pharmacokinetic properties. Mechanistic studies identified SLC19A1 as a key transporter mediating cellular uptake. Lead compound 25 exhibited good potency, high selectivity, favorable PK, and dose-dependent pSTAT1 induction in a MC38 mouse model. These results establish compound 25 as promising structurally differentiated tool to study PTPN1/N2 inhibition and underscore the importance of SLC19A1 in the transport of DFMPs.

文献信息
期刊
Journal of medicinal chemistry
期刊简称
J Med Chem
ISSN
1520-4804
发表日期
2026-05-14
语言
英语
国家/地区
United States
NLM ID
9716531
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