| Size | Price | Stock | Qty |
|---|---|---|---|
| 1g |
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| Other Sizes |
| Targets |
tert-Butyl Pitavastatin targets HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis. As a statin derivative, it inhibits this enzyme, reducing cholesterol production. The tert-butyl ester is a prodrug form that is converted to the active hydroxy acid form in vivo.
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|---|---|
| ln Vitro |
In vitro, tert-Butyl Pitavastatin 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 Pitavastatin, though it is less potent due to the ester group.
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| ln Vivo |
In vivo, tert-Butyl Pitavastatin is a metabolite of Pitavastatin. It is formed through esterification of the parent drug. It contributes to the overall pharmacokinetic profile of Pitavastatin. The compound is also used as a pharmaceutical intermediate for the synthesis of Pitavastatin.
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| Enzyme Assay |
In vitro enzyme assays for tert-Butyl Pitavastatin 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 tert-Butyl Pitavastatin 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 tert-Butyl Pitavastatin are primarily pharmacokinetic. The compound is administered orally to rodents, and blood samples are collected at predetermined time points. Plasma concentrations of the compound and its active metabolite are analyzed by LC-MS/MS. Its effects on serum cholesterol levels can be evaluated.
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| ADME/Pharmacokinetics |
tert-Butyl Pitavastatin (CAS: 586966-54-3) has a molecular weight of 477.57 g/mol and a molecular formula of C29H32FNO4. Appearance: solid powder. Purity: ≥97%. Storage: -20°C. The compound is a tert-butyl ester derivative of Pitavastatin.
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| Toxicity/Toxicokinetics |
tert-Butyl Pitavastatin is a research compound and is not approved for human therapeutic use. As a statin derivative, it may have effects on cholesterol metabolism. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
tert-Butyl Pitavastatin is a tert-butyl ester derivative of Pitavastatin and a metabolite of Pitavastatin. It is a HMG-CoA reductase inhibitor and is used as a pharmaceutical intermediate. It is not FDA-approved as a drug and is intended for research use only.
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| Molecular Formula |
C₂₉H₃₂FNO₄
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|---|---|
| Molecular Weight |
477.57
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| Exact Mass |
477.231
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| CAS # |
586966-54-3
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| PubChem CID |
10299312
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
674.5±55.0 °C at 760 mmHg
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| Flash Point |
361.7±31.5 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.624
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| LogP |
5.26
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
35
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| Complexity |
725
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)(C)OC(=O)C[C@@H](C[C@@H](/C=C/C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O
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| InChi Key |
RCARMBIYAHBUHR-UQECUQMJSA-N
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| InChi Code |
InChI=1S/C29H32FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21-22,32-33H,8-9,16-17H2,1-3H3/b15-14+/t21-,22-/m1/s1
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| Chemical Name |
tert-butyl (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
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| Synonyms |
tertButhyl Pitavastatin tert Buthyl Pitavastatin
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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 (~209.39 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.23 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (5.23 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0939 mL | 10.4697 mL | 20.9393 mL | |
| 5 mM | 0.4188 mL | 2.0939 mL | 4.1879 mL | |
| 10 mM | 0.2094 mL | 1.0470 mL | 2.0939 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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