Compound ID | 3570

Update compound information

COE-PNH2

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: Membrane-active agent
Target Pathogen: Active against Mycobacterium abscessus including nonreplicating and intracellular bacteria
Description: Synthetic compound; a conjugated oligoelectrolyte (COE) that is noncytotoxic; shows efficacy in Mycobacterium abscessus lung infection in mouse model
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1207.03
Iso. SMILES: C[N+](CCCOC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC(=CC(=C3)OCCC[N+](CCCN)(C)C)OCCC[N+](CCCN)(C)C)OCCC[N+](CCCN)(C)C)(CCCN)C.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-]
InChI Key: YJTHTAHIGLHIRW-MRKXKPBPSA-J
Can. SMILES: C[N+](C)(CCCN)CCCOC1=CC(=CC(=C1)OCCC[N+](C)(C)CCCN)/C=C/C2=CC=C(C=C2)/C=C/C3=CC(=CC(=C3)OCCC[N+](C)(C)CCCN)OCCC[N+](C)(C)CCCN.Cl.Cl.Cl.Cl.[Cl-].[Cl-].[Cl-].[Cl-]
InChI: InChI=1S/C54H94N8O4.8ClH/c1-59(2,29-9-25-55)33-13-37-63-51-41-49(42-52(45-51)64-38-14-34-60(3,4)30-10-26-56)23-21-47-17-19-48(20-18-47)22-24-50-43-53(65-39-15-35-61(5,6)31-11-27-57)46-54(44-50)66-40-16-36-62(7,8)32-12-28-58;;;;;;;;/h17-24,41-46H,9-16,25-40,55-58H2,1-8H3;8*1H/q+4;;;;;;;;/p-4/b23-21+,24-22+;;;;;;;;
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/171038069
Citation: https://www.science.org/doi/10.1126/scitranslmed.adi7558

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