Simvastatin-d3

Modify Date: 2024-01-14 17:26:43

Simvastatin-d3 structure	Common Name	Simvastatin-d3
	CAS Number	1002347-61-6	Molecular Weight	421.58500
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₃₅D₃O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of Simvastatin-d3

Simvastatin-d3 is the deuterium labeled Simvastatin[1]. Simvastatin (MK 733) is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[2].

Name	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2-methyl-2-(2H3)methylbutanoate

Description	Simvastatin-d3 is the deuterium labeled Simvastatin[1]. Simvastatin (MK 733) is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[2].
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In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Slater, E.E., et al. Mechanism of action and biological profile of HMG CoA reductase inhibitors. A new therapeutic alternative. Drugs, 1988. 36 Suppl 3: p. 72-82.

Molecular Formula	C₂₅H₃₅D₃O₅
Molecular Weight	421.58500
Exact Mass	421.29100
PSA	72.83000
LogP	4.58560