Compound ID | 87

Update compound information

OSU-03012

Synonym(s): AR-12  |  AR 12  |  AR12

Class: Small molecule antibacterial agent

Agent Type: Semisynthetic; Small molecule;
Spectrum of activity: Gram-negative & Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: Active against Salmonella enterica serovar Typhimurium and Mycobacterium abscessus
Propensity to select resistant mutants: Yes
Description: A celecoxib-derived antibacterial inhibitor
Institute where first reported: Department of Clinical Laboratory Sciences and Medical Biotechnology, College of Medicine, National Taiwan University, Taipei, Taiwan
Year first mentioned: 2009
Development status: Experimental
Chemical structure(s):
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Molecular weight: 460.45
Iso. SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F
InChI Key: YULUCECVQOCQFQ-UHFFFAOYSA-N
Can. SMILES: C1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F
InChI: InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/10027278
Citations:
  • http://aac.asm.org/content/58/12/7375.full
  • https://aac.asm.org/content/64/8/e00236-20
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2801672/

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