| Size | Price | Stock | Qty |
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| 2g |
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| 5g |
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| 10g |
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| 25g |
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| Other Sizes |
| Targets |
Atorvastatin acetonide tert-butyl ester targets HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis. As a protected statin derivative, it is a prodrug that is converted to the active hydroxy acid form in vivo. Its primary use is as a synthetic intermediate.
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|---|---|
| ln Vitro |
In vitro, Atorvastatin acetonide tert-butyl ester is characterized as a protected derivative of Atorvastatin. It is a key intermediate in the synthesis of Atorvastatin. Its activity is similar to that of Atorvastatin, though it is less potent due to the protecting groups.
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| ln Vivo |
In vivo, Atorvastatin acetonide tert-butyl ester is not used as a therapeutic agent. It is a synthetic intermediate used in the manufacture of Atorvastatin. Its in vivo effects are not characterized, as it is not intended for human use.
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| Enzyme Assay |
In vitro assays for Atorvastatin acetonide tert-butyl ester typically involve analytical method development using HPLC or LC-MS. The compound is used as a reference standard to identify and quantify the impurity in Atorvastatin samples. Its retention time and mass spectrum are characterized for method validation.
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| Cell Assay |
For in vitro cell-based assays, Atorvastatin acetonide tert-butyl ester is not typically used, as it is a synthetic intermediate and not a pharmacological agent. It could be used to study its potential effects on HMG-CoA reductase activity if necessary, but its primary role is as a synthetic intermediate.
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| Animal Protocol |
In vivo animal studies with Atorvastatin acetonide tert-butyl ester are not typically performed, as it is a synthetic intermediate and not a therapeutic candidate. Its use is confined to synthetic and analytical applications.
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| ADME/Pharmacokinetics |
Atorvastatin acetonide tert-butyl ester (CAS: 125971-95-1) has a molecular weight of 583.76 g/mol and a molecular formula of C36H42FNO5. Appearance: solid powder. Purity: ≥95%. Storage: -20°C. The compound is a protected derivative of Atorvastatin.
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| Toxicity/Toxicokinetics |
Atorvastatin acetonide tert-butyl ester is a research compound and is not approved for human therapeutic use. As a synthetic intermediate, it is used in very small quantities in the synthesis of Atorvastatin. Standard laboratory safety precautions should be followed when handling the compound.
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| Additional Infomation |
Atorvastatin acetonide tert-butyl ester is a protected derivative of Atorvastatin and a key intermediate in its synthesis. It is used as a reference standard for impurity analysis. It is not FDA-approved as a drug and is intended for research and synthetic use only.
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| Molecular Formula |
C40H47N2O5F
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|---|---|
| Molecular Weight |
654.80998
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| Exact Mass |
654.346
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| CAS # |
125971-95-1
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| PubChem CID |
10168503
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
678.0±55.0 °C at 760 mmHg
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| Melting Point |
144-148ºC
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| Flash Point |
363.9±31.5 °C
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| Vapour Pressure |
0.0±2.1 mmHg at 25°C
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| Index of Refraction |
1.569
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| LogP |
7.78
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
48
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| Complexity |
1040
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C1=C(C(NC2=CC=CC=C2)=O)C(C3=CC=CC=C3)=C(N1CC[C@@H]4C[C@@H](OC(C)(O4)C)CC(OC(C)(C)C)=O)C5=CC=C(F)C=C5)C
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| InChi Key |
NPPZOMYSGNZDKY-ROJLCIKYSA-N
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| InChi Code |
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
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| Chemical Name |
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
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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 : ~125 mg/mL (~190.90 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.18 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5272 mL | 7.6358 mL | 15.2716 mL | |
| 5 mM | 0.3054 mL | 1.5272 mL | 3.0543 mL | |
| 10 mM | 0.1527 mL | 0.7636 mL | 1.5272 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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