Compound ID | 2467

Update compound information

HSGN-94

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive
Details of activity: Active against Staphylococcus aureus, Streptococcus pneumoniae, Streptococcus pyogenes, Enterococcus faecalis, Enterococcus faecium, and Listeria monocytogenes; inhibits LTA synthesis by binding to PgcA and downregulating PgsA
Description: Synthetic compound; cytotoxic to mammalian cells only at 64-256x MIC
Institute where first reported: Chemistry Department, Institute for Drug Discovery, Purdue University, West Lafayette, Indiana 47907, United States;  Purdue Institute of Inflammation, Immunology, and Infectious Disease, Purdue University, West Lafayette, Indiana 47907, United States
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 508.52
Iso. SMILES: C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)C(F)(F)F)C
InChI Key: NOYAIUHSFKTCLU-GASCZTMLSA-N
Can. SMILES: C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(C4=CC=C(C=C4)C(F)(F)F)O3
InChI: InChI=1S/C23H23F3N4O4S/c1-14-11-15(2)13-30(12-14)35(32,33)19-9-5-16(6-10-19)20(31)27-22-29-28-21(34-22)17-3-7-18(8-4-17)23(24,25)26/h3-10,14-15H,11-13H2,1-2H3,(H,27,29,31)/t14-,15+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/146173597
Citations:
  • https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cmdc.201900053
  • https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c02034
    • Patent: WO2019199496A1

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