Compound ID | 2930

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Compound 4t (1,2,4-oxadiazole substituent derivative 4t)

Synonym(s): Bis-Substituted Aromatic Amide Derivative 4t

Class: Membrane-active agent

Spectrum of activity: Gram-positive
Details of activity: Active against methicillin-resistant Staphylococcus aureus, vancomycin-resistant Staphylococcus aureus, and multidrug-resistant Staphylococcus hominis; disrupts integrity of cell membrane
Description: Synthetic compound; derived from a hit with bis-substituted aromatic amide scaffold showing mild activity against Staphylococcus aureus; has >1000 (HC50/MIC) selectivity index in rabbit red blood cells; has ≥66 (IC50/MIC) selectivity index in mammalian cell lines
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 515.43
Iso. SMILES: O=C(CCC(F)(F)F)N(CC1=CC2=C(C=CC=C2)S1)C3=CC(C4=NOC(C(F)(F)F)=N4)=CC=C3O
InChI Key: RLZWQXZJKKPGOC-UHFFFAOYSA-N
Can. SMILES: C1=CC2=C(C=C1)SC(=C2)CN(C3=CC(=CC=C3O)C4=NOC(=N4)C(F)(F)F)C(=O)CCC(F)(F)F
InChI: InChI=1S/C22H15F6N3O3S/c23-21(24,25)8-7-18(33)31(11-14-9-12-3-1-2-4-17(12)35-14)15-10-13(5-6-16(15)32)19-29-20(34-30-19)22(26,27)28/h1-6,9-10,32H,7-8,11H2
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c02064

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