Compound ID | 3002

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JEDI-1444

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-negative
Details of activity: Active against Escherichia coli and Klebsiella pneumoniae; LpxH inhibitor
Description: Synthetic compound; developed by combining JEDI-852 and AZ1 which are identified as LpxH inhibitors; cytotoxicity (IC50) to HepG2 cells at >64 uM (highest tested); in serum, the compound shows weak antibacterial activity, low solubility and poor metabolic stability
Institute where first reported: Department of Medical Biochemistry and Microbiology, BMC, Uppsala University, Uppsala SE-75123, Sweden
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 596.64
Iso. SMILES: O=S(N1CCN(CC1)C2=CC=CC(C(F)(F)F)=C2)(C3=CC=C(NC(C4=C(N(C)S(=O)(C)=O)C=CC=C4)=O)C=C3)=O
InChI Key: JURGWQSEARSCQN-UHFFFAOYSA-N
Can. SMILES: CN(C1=C(C=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)C(F)(F)F)S(=O)(=O)C
InChI: InChI=1S/C26H27F3N4O5S2/c1-31(39(2,35)36)24-9-4-3-8-23(24)25(34)30-20-10-12-22(13-11-20)40(37,38)33-16-14-32(15-17-33)21-7-5-6-19(18-21)26(27,28)29/h3-13,18H,14-17H2,1-2H3,(H,30,34)
External links:
Citation: https://www.pnas.org/doi/10.1073/pnas.2317274121
Patent: WO2022/220725 (PCT/SE2022/050360)

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