| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
beta2-adrenoceptor (agonist)
|
|---|---|
| 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].
No specific in vitro assays for the deuterated form are provided. The non-deuterated parent Bambuterol hydrochloride is a long-acting beta2-adrenoceptor agonist (LABA) and a prodrug of terbutaline, used in the treatment of asthma. Deuterium substitution enhances metabolic stability for analytical applications. |
| ln Vivo |
Cellular activity data for the deuterated form are not specifically reported. The non-deuterated Bambuterol is hydrolyzed to terbutaline, which activates beta2-adrenergic receptors on bronchial smooth muscle cells, increasing intracellular cAMP and causing bronchodilation. It demonstrates significant bronchodilatory effects in respiratory conditions.
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| Enzyme Assay |
Radioligand binding assays for beta2-adrenoceptors are performed using membrane preparations from cells expressing human beta2 receptors, such as CHO or HEK-293 cells. [3H]-CGP12177 or [¹2⁵I]-cyanopindolol is used as the radioligand. Test compound is incubated with membranes at varying concentrations. Bound radioligand is separated by filtration and counted by scintillation. Ki values are calculated from competition curves.
|
| Cell Assay |
Cell-based functional assays for beta2-adrenoceptor agonism use CHO cells expressing human beta2 receptors with a cAMP response element reporter. Cells are treated with serial dilutions of Bambuterol-d9 (or non-deuterated reference). Agonist activity is measured by quantifying intracellular cAMP accumulation via HTRF or ELISA. EC50 is calculated from concentration-response curves. Terbutaline can be measured as the active metabolite.
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| Animal Protocol |
In vivo animal studies with Bambuterol-d9 are not typically performed as it is primarily an analytical internal standard. Pharmacokinetic studies using the deuterated compound as a tracer involve oral or intravenous administration to rats or dogs, followed by blood and tissue collection at multiple time points. LC-MS/MS analysis quantifies both Bambuterol and its active metabolite terbutaline.
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| ADME/Pharmacokinetics |
The deuterated form is designed as an analytical internal standard for LC-MS/MS quantification of Bambuterol and terbutaline in biological matrices. It exhibits identical chromatographic retention time as the non-deuterated compound but a distinct mass due to nine deuterium atoms. The deuterium substitution enhances metabolic stability, making it valuable for pharmacokinetic studies to determine the metabolic fate of the drug.
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| Toxicity/Toxicokinetics |
As an analytical standard, Bambuterol-d9 hydrochloride is not intended for therapeutic use and thus toxicology studies are not performed on the labeled compound. The non-deuterated Bambuterol has an established clinical safety profile as an approved bronchodilator for asthma, with common side effects including tremor, palpitations, and headache.
|
| References | |
| Additional Infomation |
Bambuterol-d9 hydrochloride is a stable isotope-labeled internal standard used exclusively for research and bioanalytical applications. The parent drug Bambuterol is a prodrug of terbutaline, offering once-daily dosing for asthma management due to its long duration of action. The deuterated version facilitates accurate quantitation in pharmacokinetic studies and metabolic profiling.
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| Molecular Formula |
C18H21D9CLN3O5
|
|---|---|
| Molecular Weight |
412.96
|
| Exact Mass |
412.243
|
| CAS # |
1794810-59-5
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| Related CAS # |
Bambuterol hydrochloride;81732-46-9;Bambuterol;81732-65-2
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| PubChem CID |
71313617
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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 |
8
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| Heavy Atom Count |
27
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| Complexity |
446
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl
|
| InChi Key |
LBARATORRVNNQM-KYRNGWDOSA-N
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| InChi Code |
InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H/i1D3,2D3,3D3;
|
| Chemical Name |
[3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochloride
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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)
|
| Solubility (In Vitro) |
DMSO: 25 mg/mL (60.54 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.05 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 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 (6.05 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 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 (6.05 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 | 2.4215 mL | 12.1077 mL | 24.2154 mL | |
| 5 mM | 0.4843 mL | 2.4215 mL | 4.8431 mL | |
| 10 mM | 0.2422 mL | 1.2108 mL | 2.4215 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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