Compound ID | 2465

Update compound information

2,4-diamino-6-(4-tert-butylphenyl)-1,3,5-trazine (DATPT)

Synonym(s): HY-145307  |  CS-0370972

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Membrane-active agent
Target Pathogen: Active against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus
Description: Synthetic compound derived from peptide 12WLVSKF17
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 495.06
Iso. SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)NCC3CCCO3)NCCOCCOCC[NH3+].[Cl-]
InChI Key: VKKLNYQJVSKJHM-UHFFFAOYSA-N
Can. SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)NCCOCCOCC[NH3+])NCC3CCCO3.[Cl-]
InChI: InChI=1S/C24H38N6O3.ClH/c1-24(2,3)19-8-6-18(7-9-19)21-28-22(26-11-14-32-16-15-31-13-10-25)30-23(29-21)27-17-20-5-4-12-33-20;/h6-9,20H,4-5,10-17,25H2,1-3H3,(H2,26,27,28,29,30);1H
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/162679311
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01551

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