2’-Ethyl Simvastatin-d6

• CAT Number: R036428
• CAS Number: NA
• Molecular Formula: C₂₃H₂₈D₆O₅
• Molecular Weight: 396.55
• Purity: ≥95%
• Synonyms: 2-Methylpropanoic Acid [1S-[1α,3α,7β,8β(2S*,4S*),8aβ]]-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl Ester-d6
• Storage: Desiccate at -20C
• IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3,3,3-trideuterio-2-(trideuteriomethyl)propanoate
• InChI: InChI=1S/C23H34O5/c1-13(2)23(26)28-20-10-14(3)9-16-6-5-15(4)19(22(16)20)8-7-18-11-17(24)12-21(25)27-18/h5-6,9,13-15,17-20,22,24H,7-8,10-12H2,1-4H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1/i1D3,2D3
• InChIKey: KJXWSYMXRPCCCZ-XLKJLTKWSA-N
• SMILES: [2H]C([2H])([2H])C(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C([2H])([2H])[2H]

2’-Ethyl Simvastatin-d6（Cat No.:R036428） is a deuterated analog of Simvastatin, tailored for enhanced pharmacokinetic and metabolic studies. This compound, featuring six deuterium atoms, offers increased analytical robustness and reduced isotopic exchange, crucial for accurate mass spectrometric analysis. It is used primarily to investigate the metabolism and mechanism of action of Simvastatin, a medication widely prescribed for lowering cholesterol. The deuteration of 2’-Ethyl Simvastatin-d6 helps in tracing the subtle metabolic pathways and provides insights into the drug’s efficacy and safety profile, aiding in the optimization of therapeutic strategies for cardiovascular diseases.