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501121-34-2

501121-34-2 structure
501121-34-2 structure
  • Name: (3S,5S)-Atorvastatin
  • Chemical Name: (3S,5S)-Atorvastatin Sodium Salt
  • CAS Number: 501121-34-2
  • Molecular Formula: C33H35FN2O5
  • Molecular Weight: 558.64000
  • Catalog: Signaling Pathways Metabolic Enzyme/Protease Cytochrome P450
  • Create Date: 2018-04-13 08:00:00
  • Modify Date: 2024-01-02 19:02:51
  • (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].

Name (3S,5S)-Atorvastatin Sodium Salt
Synonyms (S,S)-Atorvastatin
3S,5S-Atorvastatin
Atorvastatin Impurity 25
Description (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].
Related Catalog
Target

Pregnane X receptor (PXR)[1]

In Vitro Atorvastatin and its inactive enantiomer (3S,5S)-Atorvastatin increases CYP2B and CYP3A mRNA content with equal ability[1]. (3S,5S)-Atorvastatin in 100 μM concentrations induces luciferase activity with an EC50 of 12.4 μM[2]. Addition of (3S,5S)-Atorvastatin to the 2-formylphenylboronicacid (FPBA)/l-tryptophanol mixture induces an intensity enhancement of l-tryptophanol florescence[3].
References

[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.

Melting Point 182-184ºC
Molecular Formula C33H35FN2O5
Molecular Weight 558.64000
Exact Mass 558.25300
PSA 111.79000
LogP 6.38660
Storage condition -20°C
Precursor  1

DownStream  0