(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].

Product Specifications

CAS Number

[1428118-38-0]

UNSPSC

12352005

Hazard Statement

H319

Target

Cytochrome P450

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/3s-5s-atorvastatin-sodium-salt.html

Solubility

10 mM in DMSO

Smiles

O=C(NC1=CC=CC=C1)C2=C(N(C(C3=CC=C(C=C3)F)=C2C4=CC=CC=C4)CC[C@@H](C[C@@H](CC(O[Na])=O)O)O)C(C)C

Molecular Formula

C33H34FN2NaO5

Molecular Weight

580.62

Precautions

P264-P280-P305+P351+P338

References & Citations

[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.