Roflumilast-d4 N-Oxide

• CAT Number: R054650
• CAS Number: 1794760-31-8
• Molecular Formula: C17H14Cl2F2N2O4
• Molecular Weight: 423.23
• Purity: ≥95%
• Synonyms: 3-(Cyclopropylmethoxy-d4)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide; N-(3,5-Dichloro-1-oxopyridin-4-yl)-4-difluoromethoxy-3-(cyclopropyl-d4)?methoxybenzamide
• Target: Anti-infection
• Storage: -20°C
• IUPAC Name: N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzamide
• InChI: InChI=1S/C17H14Cl2F2N2O4/c18-11-6-23(25)7-12(19)15(11)22-16(24)10-3-4-13(27-17(20)21)14(5-10)26-8-9-1-2-9/h3-7,9,17,25H,1-2,8H2/i1D2,2D2
• InChIKey: KHXXMSARUQULRI-LNLMKGTHSA-N
• SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)N=C3C(=CN(C=C3Cl)O)Cl)OC(F)F

Roflumilast-d4 N-Oxide is a deuterated form of the N-oxide metabolite of roflumilast, where four hydrogen atoms are replaced with deuterium. Roflumilast is a phosphodiesterase-4 (PDE4) inhibitor used to treat chronic obstructive pulmonary disease (COPD). The deuterium labeling in Roflumilast-d4 N-Oxide allows for precise tracking and analysis in pharmacokinetic and metabolic studies using mass spectrometry. This compound is valuable for understanding the drug’s metabolism, distribution, and excretion, helping optimize dosing and assess its therapeutic potential in respiratory conditions.