Compound ID | 2943

Update compound information

JSF-4088

Class: Nitrofuran

Details of activity: Active against Mycobacterium tuberculosis
Description: Synthetic compound; a nitrofuran antitubercular analogue; cytotoxicity to Vero cells at > 120 uM (vs MIC at 0.019 uM); poor accumulation in mouse lung (poor pharmacokinetic profile)
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 410.42
Iso. SMILES: CC(C)(C1=CC=CC=C1COC2=CC=CC=C2OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI Key: BRVLRNFJRAVKTE-UHFFFAOYSA-N
Can. SMILES: CC(C)(C1=C(C=CC=C1)COC2=C(C=CC=C2)OC)NC(=O)C3=CC=C([N+](=O)[O-])O3
InChI: InChI=1S/C22H22N2O6/c1-22(2,23-21(25)19-12-13-20(30-19)24(26)27)16-9-5-4-8-15(16)14-29-18-11-7-6-10-17(18)28-3/h4-13H,14H2,1-3H3,(H,23,25)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/137796980
Citation: https://www.sciencedirect.com/science/article/pii/S0960894X18310011?pes=vor

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