(3S,5S) -Atorvastatin

(3S,5S) -Atorvastatin is a inactive enantiomer of Atorvastatin. (3S,5S) -Atorvastatin can activate pregnane X receptor (PXR) . Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids[1][2].

Product Specifications

CAS Number

[501121-34-2]

UNSPSC

12352005

Hazard Statement

H302, H312, H332

Target

Cytochrome P450

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease

Assay Protocol

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

Concentration

10mM

Purity

95.0

Solubility

DMSO : 125 mg/mL (ultrasonic)

Smiles

O=C(C(C(C1=CC=CC=C1)=C(C2=CC=C(F)C=C2)N3CC[C@H](O)C[C@H](O)CC(O)=O)=C3C(C)C)NC4=CC=CC=C4

Molecular Formula

C33H35FN2O5

Molecular Weight

558.64

Precautions

H302, H312, H332

References & Citations

[1]Thomas A Kocarek, 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]Martina Korhonova, 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]Elena G Shcherbakova , 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.