1804934-57-3

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1804934-57-3 Structure

Identification	Back Directory
[Name] Metallo-β-lactamase-IN-15
[CAS] 1804934-57-3
[Synonyms] Metallo-β-lactamase-IN-15
[Molecular Formula] C10H11NS3
[MOL File] 1804934-57-3.mol
[Molecular Weight] 241.4

Chemical Properties	Back Directory
[Boiling point ] 412.2±45.0 °C(predicted)
[density ] 1.43±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[pka] 9.22±0.10(predicted)

Hazard Information	Back Directory
[Uses] Metallo-β-lactamase-IN-15 (Compound ±13) is a potent MBL inhibitor, the IC50 values for NDM-1、IMP-1 and VIM-2 were 0.29 μM, 0.088 μM and 0.063 μM, respectively[1].
[IC 50] NDM-1: 0.29 μM (IC₅₀); VIM-2: 0.063 μM (IC₅₀); IMP-1: 0.088 μM (IC₅₀)
[References] [1] Villamil, Valentina et al. “Rational Design of Benzobisheterocycle Metallo-β-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.” Journal of medicinal chemistry, 19 Feb. 2024. DOI:10.1021/acs.jmedchem.3c02209

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