| Identification | Back Directory | [Name]
MAC-545496 | [CAS]
838810-96-1 | [Synonyms]
MAC-545496
N-[[(5-Chloro-2-pyridinyl)amino]thioxomethyl]-3-nitro-4-(1-piperidinyl)benzamide
Benzamide, N-[[(5-chloro-2-pyridinyl)amino]thioxomethyl]-3-nitro-4-(1-piperidinyl)- | [Molecular Formula]
C18H18ClN5O3S | [MOL File]
838810-96-1.mol | [Molecular Weight]
419.89 |
| Chemical Properties | Back Directory | [density ]
1.458±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Soluble in DMSO (25 mg/ml) | [form ]
solid | [pka]
7.09±0.70(Predicted) | [color ]
Yellow/orange | [Stability:]
Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month |
| Hazard Information | Back Directory | [Description]
MAC-545496 (838810-96-1) is an inhibitor of glycopeptide-resistance-associated protein R (GraR, also known as ApsR).? GraR and its regulatory system are important for virulence of S. aureus.? MAC-545496 is able to reverse ?-lactam resistance in S. aureus in a G. Mellonella larvae model.? 0.06 μg/mL MAC-545496? lowered the minimum inhibitory concentration (MIC) for oxacillin against S. aureus below the CLSI clinical breakpoint. It lowered the ?-lactam MIC from 512 to 8 μg/mL against S. aureus USA300. | [Uses]
MAC-545496 is a nanomolar inhibitor of glycopeptide-resistance-associated protein R (GraR). MAC-545496 displays strong binding affinity to the full-length GraR protein (Kd ≤ 0.1 nM). MAC-545496 is an antivirulence agent that reverses β-lactam resistance in Methicillin-resistant strains (MRSA)[1]. | [in vivo]
In vivo, MAC-545496 is effective as a monotherapy for MRSA infected Galleria mellonella larvae. MAC-545496 activity is evidenced by increased survival of the drug-treated larvae as compared to infected untreated ones. This corresponded to concentration-dependent killing of S. aureus in the hemolymph of the larvae observed from the CFUs recovered from the hemolymph 200 min after infection. Treatment of S. aureus-infected larvae with MAC-545496 occurred 30min after infection that mimics acquiring bacterial infection before initiating antimicrobial therapy [1]. | [References]
El-Halfawy et al. (2020), Discovery of an antivirulence compound that reverses ?-lactam resistance in MRSA; Nat. Chem. Biol., 16 143 |
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