(3S,5S)-Atorvastatin (sodium salt)

Modify Date: 2025-08-25 07:44:26

(3S,5S)-Atorvastatin (sodium salt) structure	Common Name	(3S,5S)-Atorvastatin (sodium salt)
	CAS Number	1428118-38-0	Molecular Weight	580.62
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₃H₃₄FN₂NaO₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of (3S,5S)-Atorvastatin (sodium salt)

(3S,5S)-Atorvastatin sodium salt is a pregnane X receptor (PXR) activator and the inactive enantiomer of Atorvastatin. Atorvastatin is an orally active HMG-CoA reductase inhibitor with lipid-lowering capabilities[1].

Name	(3S,5S)-Atorvastatin (sodium salt)

Description	(3S,5S)-Atorvastatin sodium salt is a pregnane X receptor (PXR) activator and the inactive enantiomer of Atorvastatin. Atorvastatin is an orally active HMG-CoA reductase inhibitor with lipid-lowering capabilities[1].
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Others
Target	Pregnane X receptor (PXR)[1].
References	[1]. Kocarek TA, et al. Regulation of CYP2B6 and CYP3A expression by hydroxymethylglutaryl coenzyme A inhibitors in primary cultured human hepatocytes. Drug Metab Dispos. 2002 Dec;30(12):1400-5. [2]. Korhonova M, et al. Optical Isomers of Atorvastatin, Rosuvastatin and Fluvastatin Enantiospecifically Activate Pregnane X Receptor PXR and Induce CYP2A6, CYP2B6 and CYP3A4 in Human Hepatocytes. PLoS One. 2015 Sep 14;10(9):e0137720. [3]. Shcherbakova EG, et al. High-Throughput Assay for Enantiomeric Excess Determination in 1,2- and 1,3-Diols and Direct Asymmetric Reaction Screening. Chemistry. 2017 Jul 26;23(42):10222-10229.

Molecular Formula	C₃₃H₃₄FN₂NaO₅
Molecular Weight	580.62
InChIKey	VVRPOCPLIUDBSA-WMXJXTQLSA-M
SMILES	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)[O-].[Na+]

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