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Merck
CN

SML2901

Sigma-Aldrich

MAC-545496

≥98% (HPLC)

Synonym(s):

N-(5-chloropyridin-2-ylcarbamothioyl)-3-nitro-4-(piperidin-1-yl)benzamide, N-[[(5-chloro-2-pyridinyl)amino]thioxomethyl]-3-nitro-4-(1-piperidinyl)benzamide

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About This Item

Empirical Formula (Hill Notation):
C18H18ClN5O3S
CAS Number:
838810-96-1
Molecular Weight:
419.89
MDL number:
MFCD05848166
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

faint yellow to dark orange

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

S=C(Nc3ncc(cc3)Cl)NC(=O)c1cc(c(cc1)N2CCCCC2)[N+](=O)[O-]

InChI

1S/C18H18ClN5O3S/c19-13-5-7-16(20-11-13)21-18(28)22-17(25)12-4-6-14(15(10-12)24(26)27)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,20,21,22,25,28)

InChI key

AFOKREIUUQFDNW-UHFFFAOYSA-N

Biochem/physiol Actions

MAC-545496 is a potent and selective inhibitor of glycopeptide-resistance-associated protein R (GraR) that displays antivirulence and antimicrobial adjuvant properties. MAC-545496 reverses β-lactam resistance in Methicillin-resistant strains (MRSA) and synergizes with cationic antimicrobial peptides (CAMPs). It also potentiates the effects of Cefuroxime and Oxacillin MRSA strains. MAC-545496 has no effect on commensal S. epidermidis and Gram-negative bacteria such as P. aeruginosa.
potent and selective inhibitor of glycopeptide-resistance-associated protein R (GraR); antivirulent, antibacterial

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000108855
0000108856
0000105063

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Omar M El-Halfawy et al.
Nature chemical biology, 16(2), 143-149 (2019-11-27)
Staphylococcus aureus is the leading cause of infections worldwide, and methicillin-resistant strains (MRSA) are emerging. New strategies are urgently needed to overcome this threat. Using a cell-based screen of ~45,000 diverse synthetic compounds, we discovered a potent bioactive, MAC-545496, that

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