Compound ID | 2925

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Compound j9 (AF-353 derivative), 5-(4-(Cyclopropylmethoxy)-5-iodo-2-isopropylphenoxy)pyrimidine-2,4-diamine

Synonym(s): DHFR-IN-17

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Folate synthesis inhibitor. DHFR inhibitor
Target Pathogen: Active against methicillin-resistant and -susceptible Staphylococcus aureus
Description: Synthetic compound based on a Mycobacterium tuberculosis DHFR inhibitor hit h1 (AF-353); shows 50% cytotoxicity to HEK293 and epithelial cells at 100 uM (highest tested); shows hepatotoxicity in mouse at 800 mg/kg dose
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 440.28
Iso. SMILES: CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)I)OCC3CC3
InChI Key: OOZZEXUFFLIQPD-UHFFFAOYSA-N
Can. SMILES: CC(C)C1=C(C=C(C(=C1)OCC2CC2)I)OC3=C(N)N=C(N)N=C3
InChI: InChI=1S/C17H21IN4O2/c1-9(2)11-5-14(23-8-10-3-4-10)12(18)6-13(11)24-15-7-21-17(20)22-16(15)19/h5-7,9-10H,3-4,8H2,1-2H3,(H4,19,20,21,22)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/171038101
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.3c02355

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