(3S,5S)-Atorvastatin

Modify Date: 2025-08-24 19:12:10

(3S,5S)-Atorvastatin structure	Common Name	(3S,5S)-Atorvastatin
	CAS Number	501121-34-2	Molecular Weight	558.64000
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₃H₃₅FN₂O₅	Melting Point	182-184ºC
	MSDS	N/A	Flash Point	N/A

Use of (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].

Name	(3S,5S)-Atorvastatin Sodium Salt
Synonym	More Synonyms

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	Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Metabolic Disease
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

tert-butyl 2-[(...

CAS#:472967-95-6

(3S,5S)-Atorvastatin

CAS#:501121-34-2

Literature: Collection of Czechoslovak Chemical Communications, , vol. 73, # 2 p. 229 - 246

Precursor 1
CAS#:472967-95-6 tert-butyl 2-[(...
DownStream 0

(S,S)-Atorvastatin

3S,5S-Atorvastatin

Atorvastatin Impurity 25

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Product Name: S,S-Atorvastatin
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Purity: 98.0%
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(3S,5S)-Atorvastatin

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