N-Desbutyl Dronedarone (hydrochloride)

N-Desbutyl dronedarone is an active metabolite of the antiarrhythmic agent dronedarone (Cay-9000543). It is formed from dronedarone by cytochrome P450s (CYPs) and monoamine oxidase (MAO) in human hepatocyte preparations. N-Desbutyl dronedarone inhibits the binding of 3,3',5-triiodo-L-thyronine (T3, Cay-16028) to the thyroid hormone receptors TRalpha1 and TRbeta1 (IC50s = 59 and 280 µM for the chicken and human receptors, respectively). It inhibits CYP2J2-mediated formation of 14,15-EET from arachidonic acid and soluble epoxide hydrolase-mediated formation of 14,15-DHET from 14,15-EET (IC50s = 1.59 and 2.73 µM, respectively, in cell-free assays). N-Desbutyl dronedarone decreases intracellular ATP levels in H9c2 rat cardiomyocytes (IC50 = 1.07 µM) and inhibits mitochondrial complex I, also known as NADH dehydrogenase, and mitochondrial complex II, also known as succinate dehydrogenase, activities in isolated rat heart mitochondria (IC50s = 11.94 and 24.54 µM, respectively).Formal Name: N-[2-butyl-3-[4-[3-(butylamino)propoxy]benzoyl]-5-benzofuranyl]-methanesulfonamide, monohydrochloride. CAS Number: 197431-02-0. Molecular Formula: C27H36N2O5S . HCl. Formula Weight: 537.1. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, DMSO:PBS (pH 7.2) (1:6): 0.14 mg/ml, Ethanol: 1 mg/ml. lambdamax: 218, 250, 291 nm. SMILES: O=C(C1=C(CCCC)OC2=CC=C(NS(C)(=O)=O)C=C21)C3=CC=C(C=C3)OCCCNCCCC.Cl. InChi Code: InChI=1S/C27H36N2O5S.ClH/c1-4-6-9-25-26(23-19-21(29-35(3,31)32)12-15-24(23)34-25)27(30)20-10-13-22(14-11-20)33-18-8-17-28-16-7-5-2,/h10-15,19,28-29H,4-9,16-18H2,1-3H3,1H. InChi Key: ZDXBTJLIQYUYSZ-UHFFFAOYSA-N.