| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Atorvastatin-d5 hemicalcium is the deuterated form of atorvastatin, which is an orally active HMG-CoA reductase inhibitor. HMG-CoA reductase is the rate-limiting enzyme in cholesterol biosynthesis. By inhibiting this enzyme, atorvastatin effectively decreases blood lipids, including LDL-cholesterol and triglycerides.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
The in vitro activity of Atorvastatin-d5 hemicalcium mirrors that of atorvastatin, which is a potent HMG-CoA reductase inhibitor. Atorvastatin hemicalcium has the ability to effectively decrease blood lipids. The deuterated form is used as an internal standard in in vitro assays to accurately quantify atorvastatin. |
| ln Vivo |
In vivo, Atorvastatin-d5 hemicalcium is used as a tracer to study the pharmacokinetics and metabolism of atorvastatin. Atorvastatin is an orally active HMG-CoA reductase inhibitor with the ability to effectively lower blood lipids.
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| Enzyme Assay |
The primary application of Atorvastatin-d5 hemicalcium is as an internal standard in LC-MS/MS analysis. A known amount of the labeled compound is added to biological samples (e.g., plasma or serum). Following protein precipitation and extraction, the sample is analyzed by LC-MS/MS. The internal standard corrects for variability in the analytical process.
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| Cell Assay |
In cellular assays, Atorvastatin-d5 hemicalcium is used to quantify the intracellular concentration of atorvastatin. This allows researchers to study drug uptake and accumulation in cell lines.
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| Animal Protocol |
In animal studies, Atorvastatin-d5 hemicalcium is utilized as an internal standard for the quantification of atorvastatin in pharmacokinetic studies. Following administration to animal models, blood samples are collected at various time points and analyzed by LC-MS/MS.
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| ADME/Pharmacokinetics |
Atorvastatin-d5 hemicalcium is a chemically stable compound with a molecular weight of 583.71. It has an isotopic enrichment of 99.0% and a purity of ≥98.0%. It is stored as a solid at 2-8°C for long-term stability.
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| Toxicity/Toxicokinetics |
Atorvastatin-d5 hemicalcium is intended for research use only and is not for therapeutic or diagnostic use in humans. As a stable isotope, it is non-radioactive and poses minimal radiological risk. Its toxicological profile is expected to be similar to that of atorvastatin, which is generally well-tolerated but may cause myopathy and hepatotoxicity.
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| References | |
| Additional Infomation |
Atorvastatin-d5 hemicalcium is a high-purity stable isotope-labeled compound used as an internal standard for the bioanalysis of atorvastatin. It is structurally identical to atorvastatin, with the exception of five hydrogen atoms being replaced by deuterium. It is an essential tool in drug development for studying the pharmacokinetics of this important statin.
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| Molecular Formula |
C33H34CAFN2O5
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|---|---|
| Molecular Weight |
602.740680217743
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| Exact Mass |
602.239
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| CAS # |
222412-82-0
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| Related CAS # |
Atorvastatin;134523-00-5;(3S,5S)-Atorvastatin;501121-34-2;(rel)-Atorvastatin;110862-48-1;Atorvastatin hemicalcium trihydrate;344920-08-7
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| PubChem CID |
45358922
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| Appearance |
White to off-white solid powder
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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 |
11
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| Heavy Atom Count |
42
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| Complexity |
817
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| Defined Atom Stereocenter Count |
2
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| SMILES |
[Ca+2].FC1C=CC(=CC=1)C1=C(C2C([2H])=C([2H])C([2H])=C([2H])C=2[2H])C(C(NC2C=CC=CC=2)=O)=C(C(C)C)N1CC[C@H](C[C@H](CC(=O)[O-])O)O
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| InChi Key |
DYJKAHNDTTZSNX-ADFDHUHVSA-M
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| InChi Code |
InChI=1S/C33H35FN2O5.Ca/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+2/p-1/t26-,27-;/m1./s1/i3D,5D,6D,9D,10D;
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| Chemical Name |
calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6591 mL | 8.2955 mL | 16.5909 mL | |
| 5 mM | 0.3318 mL | 1.6591 mL | 3.3182 mL | |
| 10 mM | 0.1659 mL | 0.8295 mL | 1.6591 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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