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163597-25-9

163597-25-9 Structure

163597-25-9 Structure
IdentificationBack Directory
[Name]

Antcin B
[CAS]

163597-25-9
[Synonyms]

Antcin B
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,7,11-trioxo-, (4α,5α)-
[Molecular Formula]

C29H40O5
[MOL File]

163597-25-9.mol
[Molecular Weight]

468.625
Chemical PropertiesBack Directory
[Boiling point ]

626.9±55.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[pka]

4.59±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

Antcin B is a SARS-CoV-2 3-chymotrypsin-like protease (3CL Pro) inhibitor. Antcin B binds to multiple key amino acid residues of 3CL Pro(such as Leu141, Asn142, Glu166, His163, etc.) through hydrogen bonds, salt bridges, and hydrophobic interactions, thereby inhibiting the activity of 3CL Pro, blocking the cleavage process of viral polyproteins, and suppressing the replication of the SARS-CoV-2 virus in host cells. Antcin B is promising for research of COVID-19[1].
[References]

[1] Dakpa G, et al. Antcin-B, a phytosterol-like compound from Taiwanofungus camphoratus inhibits SARS-CoV-2 3-chymotrypsin-like protease (3CLPro) activity in silico and in vitro. Sci Rep. 2023 Oct 10;13(1):17106. DOI:10.1038/s41598-023-44476-x
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