Compound ID | 2434

Update compound information

5-Amino-1,3-dioxane-linked Novel Bacterial Topoisomerase Inhibitor (NBTI) 79

Synonym(s): NBTIs-IN-4

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: DNA synthesis inhibitor. Bacterial topoisomerase inhibitor
Target Pathogen: Active against methicillin-resistant and -susceptible Staphylococcus aureus, Enterococcus spp., and Streptococcus pneumoniae
Propensity to select resistant mutants: Y, low frequency (10^-9)
Description: Synthetic compound
Institute where first reported: Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, Columbus, Ohio 43210, United States
Year first mentioned: 2021
Development status: Experimental
Chemical structure(s):
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Molecular weight: 489.52
Iso. SMILES: COC1=NC2=C(C(=CN=C2C=C1)F)C[C@@H](C3OCC(CO3)NCC4=CC5=C(N=N4)OCCS5)O
InChI Key: QUTCIOKBWBLIHI-YBEBCVOYSA-N
Can. SMILES: COC1=CC=C2C(=N1)C(=C(C=N2)F)C[C@@H](C3OCC(CO3)NCC4=NN=C5C(=C4)SCCO5)O
InChI: InChI=1S/C22H24FN5O5S/c1-30-19-3-2-16-20(26-19)14(15(23)9-25-16)7-17(29)22-32-10-13(11-33-22)24-8-12-6-18-21(28-27-12)31-4-5-34-18/h2-3,6,9,13,17,22,24,29H,4-5,7-8,10-11H2,1H3/t13?,17-,22?/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/162640929
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.1c01250
Patent: US11352349B2

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