| Size | Price | Stock | Qty |
|---|---|---|---|
| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Atorvastatin ethyl ester targets HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis. As a statin derivative, it inhibits this enzyme, reducing cholesterol production. The ethyl ester is a prodrug form that is converted to the active hydroxy acid form in vivo.
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|---|---|
| ln Vitro |
In vitro, Atorvastatin ethyl ester is characterized as a HMG-CoA reductase inhibitor. As a statin derivative, it inhibits cholesterol synthesis in cell-based assays. Its activity is similar to that of Atorvastatin, though it is less potent due to the ester group.
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| ln Vivo |
In vivo, Atorvastatin ethyl ester is an impurity of Atorvastatin. It is a synthetic byproduct formed during the manufacture of Atorvastatin. It contributes to the impurity profile of Atorvastatin drug substance and products. The compound is used as a reference standard for quality control.
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| Enzyme Assay |
In vitro enzyme assays for Atorvastatin ethyl ester involve measuring its inhibition of HMG-CoA reductase activity. The enzyme is incubated with increasing concentrations of the compound, HMG-CoA, and NADPH in assay buffer. The conversion of HMG-CoA to mevalonate is measured spectrophotometrically. IC50 values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cell-based assays, hepatocytes are cultured and treated with Atorvastatin ethyl ester at various concentrations. Cholesterol synthesis is measured by incorporating radiolabeled acetate into cholesterol. Cell viability is assessed by standard assays. The compound's effects on LDL receptor expression can be assessed by Western blot.
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| Animal Protocol |
In vivo animal studies with Atorvastatin ethyl ester are not typically performed, as it is an impurity and not a therapeutic candidate. Its use is confined to analytical and quality control applications. The compound is not intended for in vivo pharmacological evaluation.
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| ADME/Pharmacokinetics |
Atorvastatin ethyl ester (CAS: 1146977-93-6) has a molecular weight of 586.69 g/mol and a molecular formula of C35H39FN2O5. Appearance: white to off-white solid. Purity: ≥95%. Storage: cool, dry place. The compound is an impurity of Atorvastatin.
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| Toxicity/Toxicokinetics |
Atorvastatin ethyl ester is a research compound and is not approved for human therapeutic use. As an impurity standard, it is used in very small quantities and does not pose significant toxicity risks under normal handling. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
Atorvastatin ethyl ester is a derivative and impurity of Atorvastatin, a potent HMG-CoA reductase inhibitor. It is used as a reference standard for analytical method development and quality control. It is not FDA-approved as a drug and is intended for research and analytical use only.
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| Molecular Formula |
C35H39N2O5F
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|---|---|
| Molecular Weight |
586.69296
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| Exact Mass |
586.284
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| CAS # |
1146977-93-6
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| PubChem CID |
57892870
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| Appearance |
White to off-white solid powder
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| LogP |
6.865
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
43
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| Complexity |
853
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CCOC(=O)CC(CC(CCN1C(=C(C(=C1C(C)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F)O)O
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| InChi Key |
CXXBPVDOSCOVJU-FQLXRVMXSA-N
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| InChi Code |
InChI=1S/C35H39FN2O5/c1-4-43-30(41)22-29(40)21-28(39)19-20-38-33(23(2)3)32(35(42)37-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(38)25-15-17-26(36)18-16-25/h5-18,23,28-29,39-40H,4,19-22H2,1-3H3,(H,37,42)/t28-,29-/m1/s1
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| Chemical Name |
ethyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~100 mg/mL (~170.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.26 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7045 mL | 8.5224 mL | 17.0448 mL | |
| 5 mM | 0.3409 mL | 1.7045 mL | 3.4090 mL | |
| 10 mM | 0.1704 mL | 0.8522 mL | 1.7045 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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