Compound ID | 2901

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Compound 23 (4-(4-(Hydroxymethyl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide)

Class: Beta-lactamase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Klebsiella penumoniae; targets IMP-1, NDM-1, and VIM-1 (metallo-beta-lactamase inhibitor)
Description: Synthetic compound structurally optimised and designed after in silico virtual screening; pan metallo-beta-lactamase inhibitor; shows no haemolytic activity to sheep blood cells; efficacious in reducing Klebsiella penumoniae burden in mouse in combination with imipenem (greater effect vs imipenem alone)
Institute where first reported: Medicinal Chemistry, Merck & Co., Inc., Kenilworth, New Jersey07033, United States
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 336.37
Iso. SMILES: C1=CC(=CC=C1CO)C2=C(C(=NC=C2)S(=O)(=O)N)C3NNNN3
InChI Key: HJSLKMNKOQJMCF-UHFFFAOYSA-N
Can. SMILES: C1=CC(=CC=C1CO)C2=CC=NC(=C2C3NNNN3)S(=O)(=O)N
InChI: InChI=1S/C13H16N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,12,16-20H,7H2,(H2,14,21,22)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/134823554
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c00766
Patent: US9708336B2

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