O-Tetrahydropyranyl Lubiprostone-d7

• CAT Number: R046601
• CAS Number: 1246812-24-7
• Molecular Formula: C25H40F2O6
• Molecular Weight: 481.629
• Purity: ≥95%
• Synonyms: (11α)-16,16-Difluoro-9,15-dioxo-11-[(tetrahydro-2H-pyran-2-yl)oxy]prostan-1-oic Acid-d7
• Storage: -20°C
• IUPAC Name: 7-[(1R,2R,3R)-2-(6,6,7,7,8,8,8-heptadeuterio-4,4-difluoro-3-oxooctyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]heptanoic acid
• InChI: InChI=1S/C25H40F2O6/c1-2-3-15-25(26,27)22(29)14-13-19-18(10-6-4-5-7-11-23(30)31)20(28)17-21(19)33-24-12-8-9-16-32-24/h18-19,21,24H,2-17H2,1H3,(H,30,31)/t18-,19-,21-,24?/m1/s1/i1D3,2D2,3D2
• InChIKey: KPXLSWFJVXGWOV-QKDWIZOESA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)OC2CCCCO2)(F)F

O-Tetrahydropyranyl Lubiprostone-d7 is a deuterated analog of lubiprostone, a chloride channel activator used to treat chronic constipation and irritable bowel syndrome with constipation (IBS-C). In this compound, seven hydrogen atoms are replaced with deuterium, specifically within the tetrahydropyranyl protecting group. The deuterium labeling in O-Tetrahydropyranyl Lubiprostone-d7 enhances the precision of pharmacokinetic and metabolic studies, allowing for detailed tracking of the compound in biological systems using mass spectrometry. This isotopically labeled version is crucial for studying the drug’s absorption, distribution, metabolism, and excretion (ADME) with greater accuracy, making it invaluable for pharmaceutical research aimed at optimizing therapeutic efficacy and safety in treating gastrointestinal disorders.