Single-crystal XRD analysis of 2,4-dimethoxy THPQs and their relative reactivity with properties were investigated using DFT calculation. Molecular docking studies show they effectively docked with main protease of SARS-CoV-2.

An efficient, regioselective, and environmentally benign approach was established using the multicomponent reaction-based synthesis of novel antioxidant spiroquinoline derivatives such as spiro [dioxolo[4,5-g]quinoline], spiro[dioxino-[2,3-g]quinoline], and spiro [pyrazolo[4,3-f ]quinoline] by reaction of aryl aldehyde, Meldrum's acid, and amine derivatives under an additive-free reaction in aqueous ethanol. Here, two asymmetric carbon centers, three new C−C bonds, and one C−N bond are developed in the final motif. This synthetic methodology offers excellent yields with an easy workup procedure, high diastereoselectivity [d.r. >50:1 (cis/trans)], admirable atom economy, and low E-factor values. Synthesized spiro compounds were investigated for their in vitro antioxidant activity by 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH) and 2,2′-azino-bis(3ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging assays. In the ABTS radical scavenging assay, compounds 4d, 4f, and 4l exhibit excellent potency, and in the DPPH radical scavenging assay, compounds 4a, 4d, 4f, and 4g, exhibit excellent potency.

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This study aimed to develop the multicomponent synthesis of 5-((2-aminothiazol-5-yl)(phenyl)methyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione derivatives via a catalyst-free approach and their biological assay.

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The one-pot synthetic strategy of amino-pyridones with potent anti-cancer activity against breast, brain, liver, and lung cancer cells either alone or in combination with clinically relevant receptor tyrosine kinase and proteasome inhibitors.

Herein we report a one-pot two-step synthesis of a bioactive 6-amino-2-pyridone-3,5-dicarbonitrile derivative using natural product catalysts betaine and guanidine carbonate. Upon identification of the anticancer bioactivity of the compound, we carried out structure-activity relationship and rationally designed a library of 16 derivatives. Out of the compounds, 5o had the most potent anti-cancer activity against murine glioblastoma cell lines and was selected for further study. Compound 5o showed anti-cancer properties against liver, breast, lung as well as primary patient-derived glioblastoma cell lines. Furthermore, 5o in combination with specific clinically relevant brain-penetrant small molecule inhibitors induces enhanced cytotoxicity in a murine glioblastoma cell line. Through our current work, we establish a promising 6-amino-2-pyridone-3,5-dicarbonitrile based lead compound with anti-cancer activity either on its own or in combination with specific clinically relevant small molecule kinase and proteasome inhibitors.