Compound ID | 3623

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1,2,4-triazine-based compound

Synonym(s): 1,2,4-triazine compound

Class: Antivirulence agent

Agent Type: Synthetic; Small molecule; Indirect acting; Antibiotic adjuvant; Antivirulence;
Spectrum of activity: Gram-negative
Mechanism of action: Lipopolysaccharide synthesis inhibitor. HldE-K inhibitor
Target Pathogen: Active against efflux-deleted strain of Escherichia coli
Description: Synthetic compound; analogues with low activity reported; shows no intrinsic antibacterial activity
Institute where first reported: Mutabilis (France)
Year first mentioned: 2010
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 505.38
Iso. SMILES: C1=CC(=C(C(=C1)Cl)C2=CN=NC(=N2)NCC3=NC4=C(S3)C=CC(=C4)OCC(=O)NCCO)Cl
InChI Key: RJTYENYLOGJRJE-UHFFFAOYSA-N
Can. SMILES: C1=CC(=C(C(=C1)Cl)C2=NC(=NN=C2)NCC3=NC4=C(C=CC(=C4)OCC(=O)NCCO)S3)Cl
InChI: InChI=1S/C21H18Cl2N6O3S/c22-13-2-1-3-14(23)20(13)16-9-26-29-21(28-16)25-10-19-27-15-8-12(4-5-17(15)33-19)32-11-18(31)24-6-7-30/h1-5,8-9,30H,6-7,10-11H2,(H,24,31)(H,25,28,29)
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/44548474
Citations:
  • https://pubs.acs.org/doi/10.1021/jm400097h
  • https://patents.google.com/patent/WO2010001220A1/de
  • https://patents.google.com/patent/EP2141164A1/en
  • https://pubs.acs.org/doi/10.1021/jm301499r
    • Patent: WO2010001220A1 | EP2141164

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