| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Atenolol-d7 targets the same pathways as the parent compound atenolol. Atenolol is a cardioselective β1-adrenergic receptor blocker. It is used to treat hypertension by slowing down the heart and reducing the workload. It is also used to treat angina, long QT syndrome, acute myocardial infarction, supraventricular tachycardia, and ventricular tachycardia. The deuterium labeling does not alter the target specificity.
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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].
In vitro, Atenolol-d7 is not used for biological activity assays but as an internal standard in analytical chemistry. Its utility lies in its ability to serve as a quantitative tracer for the detection and quantification of atenolol in biological samples using mass spectrometry. The deuterium labeling provides a distinct mass shift, allowing for accurate quantification and correction for matrix effects. |
| ln Vivo |
In vivo, Atenolol-d7 is not administered for therapeutic purposes. Its primary use is as an internal standard in analytical studies to quantify atenolol levels in biological samples. Atenolol itself is a cardioselective β1-blocker used for hypertension, angina, and other cardiovascular conditions. By using the deuterated analog, researchers can accurately measure the concentration of atenolol in pharmacokinetic and metabolic studies.
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| Enzyme Assay |
For non-cell-based assays, Atenolol-d7 is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. The compound has an isotopic purity of ≥98% D. It is not used in receptor binding assays as it is not intended for pharmacological study. Its role is to serve as a quantitative tracer in analytical method development and quality control applications.
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| Cell Assay |
For in vitro cellular assays, Atenolol-d7 is not typically used, as it is an analytical standard. However, it may be used in cell culture media as a part of sample preparation for LC-MS/MS analysis to quantify atenolol uptake or metabolism. The compound is added to biological samples at a known concentration to serve as an internal standard, correcting for variability during sample processing and analysis.
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| Animal Protocol |
For in vivo animal studies, Atenolol-d7 is used as an internal standard for the quantification of atenolol in pharmacokinetic and metabolic studies. Blood or tissue samples collected from animals dosed with atenolol are spiked with a known amount of Atenolol-d7. The samples are then processed and analyzed by LC-MS/MS. The ratio of the signal of the analyte to that of the internal standard is used to calculate the concentration of the analyte.
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| ADME/Pharmacokinetics |
Atenolol-d7 has a molecular weight of 273.38 and a molecular formula of C14H15D7N2O3. It is slightly soluble in DMSO and methanol. The compound should be stored at room temperature. It is for research use only and is not intended for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of Atenolol-d7 is not applicable, as it is used as an analytical standard at very low concentrations. The deuterium substitution is not expected to introduce new toxicities, as deuterium is a stable, non-radioactive isotope of hydrogen. The compound is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References |
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| Additional Infomation |
Atenolol-d7 (CAS 1202864-50-3) is the deuterium-labeled form of Atenolol. Atenolol is a cardioselective β1-adrenergic receptor blocker. Atenolol-d7 is intended for use as an internal standard for the quantification of atenolol by GC- or LC-MS. It is used in analytical method development, quality control, and pharmaceutical reference standard applications. It is available for research purposes only.
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| Molecular Formula |
C14H15D7N2O3
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|---|---|
| Molecular Weight |
273.38
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| Exact Mass |
273.206
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| CAS # |
1202864-50-3
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| Related CAS # |
Atenolol;29122-68-7
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| PubChem CID |
46780487
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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 |
508.0±50.0 °C at 760 mmHg
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| Melting Point |
147-1490C
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| Flash Point |
261.1±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.540
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| LogP |
0.1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
19
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| Complexity |
263
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=C(C=C1)CC(=O)N)O
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| InChi Key |
METKIMKYRPQLGS-SVMCCORHSA-N
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| InChi Code |
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/i1D3,2D3,10D
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| Chemical Name |
2-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
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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 (~365.8 mM; with ultrasonication)
H2O: ~8.3 mg/mL (~30.5 mM; with ultrasonication) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.14 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (9.14 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (9.14 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 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 | 3.6579 mL | 18.2896 mL | 36.5791 mL | |
| 5 mM | 0.7316 mL | 3.6579 mL | 7.3158 mL | |
| 10 mM | 0.3658 mL | 1.8290 mL | 3.6579 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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