1-Naphthyl 3,5-dinitrobenzoate

• CAT Number: R060969
• CAS Number: 93261-39-3
• Molecular Formula: C17H10N2O6
• Molecular Weight: 338.27
• Purity: ≥95%
• Synonyms: naphthalen-1-yl 3,5-dinitrobenzoate
• InChI: InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
• InChIKey: WYKPSINHJUWDHK-UHFFFAOYSA-N
• SMILES: C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

1-Naphthyl 3,5-dinitrobenzoate is a potent 5-lipoxygenase inhibitor with IC50 values of 1.04 µM and 3.6 µM for 5-LOX and mPGES-1, respectively. 1-Naphthyl 3,5-dinitrobenzoate has strong inhibition activity in the human whole blood (HWB) assay with an IC50 value of 8.6 μM. 1-Naphthyl 3,5-dinitrobenzoate can be used in research of inflammation[1].

Reference

[1]. Wu Y, et, al. Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. J Med Chem. 2012 Mar 22;55(6):2597-605.
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