Compound ID | 2425

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JMV7061

Synonym(s): 1,2,4-Triazole-3-thione 12

Class: Beta-lactamase inhibitor

Spectrum of activity: Gram-negative
Details of activity: Active against Pseudomonas aeruginosa, Klebsiella pneumoniae, and Escherichia coli carrying VIM-1, VIM-2, VIM-4 or NDM-1
Description: Synthetic compound; analogues reported; cytotoxicity towards HeLa cells at IC50 >250 uM; synergizes with meropenem
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 452.53
Iso. SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N(CC3=CN=CN3)CC4=CN=CN4
InChI Key: YWCRDRKNQRFREX-SFHVURJKSA-N
Can. SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N(CC3=CN=CN3)CC4=CN=CN4
InChI: InChI=1S/C21H24N8O2S/c30-20(31)18(28(11-16-9-22-13-24-16)12-17-10-23-14-25-17)7-4-8-29-19(26-27-21(29)32)15-5-2-1-3-6-15/h1-3,5-6,9-10,13-14,18H,4,7-8,11-12H2,(H,22,24)(H,23,25)(H,27,32)(H,30,31)/t18-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/167312270
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c01257

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