Ezetimibe-d4

• CAT Number: R044072
• CAS Number: 1093659-89-2
• Molecular Formula: C24H21F2NO3
• Molecular Weight: 413.457
• Purity: ≥95%
• Synonyms: (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl-d4)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone; Sch-58235-d4
• Storage: Store at -20°C
• Related CAS: 163222-33-1 ((3R)-unlabeled)
• IUPAC Name: (3R,4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-[(3S)-3-hydroxy-3-(2,3,5,6-tetradeuterio-4-fluorophenyl)propyl]azetidin-2-one
• InChI: InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1/i1D,2D,5D,6D
• InChIKey: OLNTVTPDXPETLC-GMASCKFGSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[C@H](CC[C@@H]2[C@H](N(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)O)[2H])[2H])F)[2H]

Ezetimibe-d4 is a deuterated form of ezetimibe, featuring four deuterium atoms incorporated into its molecular structure. This high-purity isotopically labeled compound is essential for advanced research in cardiovascular pharmacology, drug metabolism, and pharmacokinetics. Ezetimibe-d4 is particularly valuable for studying the metabolic pathways, bioavailability, and therapeutic efficacy of ezetimibe, a cholesterol absorption inhibitor used to lower cholesterol levels in patients with hyperlipidemia. The deuterium labeling allows for precise tracking and quantification in biological systems using techniques like mass spectrometry, enhancing the accuracy of pharmacokinetic studies and drug interaction analyses. This compound is a critical tool for researchers focused on optimizing lipid-lowering therapies, drug development, and personalized medicine, providing consistent and reliable results in various experimental settings.