Compound ID | 2424

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2-substituted 3-hydroxy-1,6-dimethylpyridin-4(1H)-one–ciprofloxacin conjugate 5e

Class: Antivirulence agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumoniae, and Staphylococcus aureus; interferes with bacterial iron uptake, prevents biofilm formation, and reduces quorum-sensing regulated virulence factors (rhamnolipid and pyocyanin)
Description: Synthetic compound; analogues reported; no cytotoxicity towards HEK293 cells at 100uM vs MIC at 0.03-3.44 uM; an antibiotic conjugate
Year first mentioned: 2023
Development status: Experimental
Chemical structure(s):
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Molecular weight: 581.59
Iso. SMILES: O=C1C=C(C)N(C)C(CNC(CCC(N2CCN(C3=C(F)C=C4C(N(C5CC5)C=C(C(O)=O)C4=O)=C3)CC2)=O)=O)=C1O
InChI Key: ZXHWDELWZWLJNL-UHFFFAOYSA-N
Can. SMILES: CC1=CC(=O)C(=C(CNC(=O)CCC(=O)N2CCN(CC2)C3=CC4=C(C=C3F)C(=O)C(=CN4C5CC5)C(=O)O)N1C)O
InChI: InChI=1S/C29H32FN5O7/c1-16-11-24(36)28(40)23(32(16)2)14-31-25(37)5-6-26(38)34-9-7-33(8-10-34)22-13-21-18(12-20(22)30)27(39)19(29(41)42)15-35(21)17-3-4-17/h11-13,15,17,40H,3-10,14H2,1-2H3,(H,31,37)(H,41,42)
External links:
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c02044

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