Compound ID | 2858

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NH125, 1-benzyl-3-cetyl-2-methylimidazolium iodide

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting; Antibiotic adjuvant;
Spectrum of activity: Gram-positive
Mechanism of action: Histidine kinase inhibitor (VraS inhibitor)
Target Pathogen: Active against oxacillin-resistant and -susceptible Staphylococcus aureus, vancomycin-resistant and -susceptible Enterococcus faecalis, and penicillin-resistant and -susceptible Streptococcus pneumoniae
Description: Synthetic compound; has no intrinsic antibacterial effect but sensitizes Gram-positives to carbenicillin and vancomycin
Institute where first reported: Fisch College of Pharmacy, The University of Texas at Tyler, Tyler, Texas, USA
Year first mentioned: 2000
Development status: Experimental
Chemical structure(s):
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Molecular weight: 524.57
Iso. SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]
InChI Key: RVWOHCBHAGBLLT-UHFFFAOYSA-M
Can. SMILES: CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]
InChI: InChI=1S/C27H45N2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28-23-24-29(26(28)2)25-27-20-17-16-18-21-27;/h16-18,20-21,23-24H,3-15,19,22,25H2,1-2H3;1H/q+1;/p-1
External links:
Citations:
  • https://academic.oup.com/bbb/article/64/4/919/5946141?login=true
  • https://journals.asm.org/doi/10.1128/spectrum.04861-22

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