Compound ID | 2296

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5-methoxy-2,3- bis(methylthio)cyclohexa-2,5-diene-1,4-dione

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic;
Spectrum of activity: Gram-positive & Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: Active against Staphylococcus aureus and Mycobacterium tuberculosis
Description: Semisynthetic compound based on natural product from venom of scorpion Diplocentrus melici with with benzoquinone scaffold; non-cytotoxicity observed in lung adenocarcinoma cell line (cytotoxic to T-cell leukemia, rhabdomyosarcoma, and metastatic neuroblastoma cell lines); at >100 ug/ml no erythrocyte haemolysis
Institute where first reported: Department of Molecular Medicine and Bioprocesses, Instituto de Biotecnologia, Universidad Nacional Autonoma de Mexico; Department of Chemistry, Stanford University, Stanford, CA;
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 230.31
Iso. SMILES: O=C1C(OC)=CC(C(=C1SC)SC)=O
InChI Key: GNFICRHFTLKMOI-UHFFFAOYSA-N
Can. SMILES: COC1=CC(=O)C(=C(C1=O)SC)SC
InChI: InChI=1S/C9H10O3S2/c1-12-6-4-5(10)8(13-2)9(14-3)7(6)11/h4H,1-3H3
External links:
Citation: https://www.pnas.org/doi/10.1073/pnas.1812334116
Patent: US2021214303A1

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