LKY-047

• CAT Number: I045551
• CAS Number: 1954681-29-8
• Molecular Formula: C23H19NO7
• Molecular Weight: 421.40
• Purity: ≥95%
• Synonyms: [(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate
• InChI: InChI=1S/C23H19NO7/c1-23(2)20(30-22(26)9-5-14-3-7-17(8-4-14)24(27)28)12-16-11-15-6-10-21(25)29-18(15)13-19(16)31-23/h3-11,13,20H,12H2,1-2H3/b9-5+/t20-/m0/s1
• InChIKey: AEVGNLMZEXKNKR-MRSBXDGLSA-N
• SMILES: CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C

LKY-047, a Decursin derivative, is a potent and selective reversible competitive cytochrome P45022J2 (CYP2J2) inhibitor with an IC50 of 1.7 μM. LKY-047 is inactive against other human P450s, such as CYPs 1A2, 2A6, 2B6, 2C8, 2C9, 2C19, 2D6, 2E1, and 3A[1].
LKY-047 is a strong competitive inhibitor of CYP2J2-mediated astemizole O-demethylase and terfenadine hydroxylase activity, with Ki values of 0.96 μM and 2.61 μM, respectively. LKY-047 also acted as an uncompetitive inhibitor of CYP2J2-mediated ebastine hydroxylation with a Ki value of 3.61 μM[1].
At 20 μM LKY-047 concentration, approximately 20-fold greater than the Ki value, LKY-047 is found to inhibit CYP2J2 by 85.3%, and only slightly affecting the enzyme activities of the other P450s tested. LKY-047 weakly inhibits CYP2D6 enzyme activity (37.2%) at 20 μM concentration[1].

Reference

[1]. Nguyen Minh Phuc, et al. LKY-047: First Selective Inhibitor of Cytochrome P450 2J2. Drug Metab Dispos. 2017 Jul;45(7):765-769.
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