| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
beta2-adrenoceptor (agonist)
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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].
No specific in vitro assays for the deuterated form are provided. The non-deuterated parent Tulobuterol (C-78 free base) is a long-acting beta2-adrenoceptor agonist that reduces the frequency of exacerbations of chronic obstructive pulmonary disease and bronchial asthma. It is structurally related to terbutaline. |
| ln Vivo |
Cellular activity data for the deuterated form are not specifically reported. The non-deuterated Tulobuterol activates beta2-adrenergic receptors on bronchial smooth muscle cells, increasing intracellular cAMP via Gs protein activation, leading to bronchodilation. It is also a sympathomimetic drug used as a transdermal patch that increases normal diaphragm muscle strength.
|
| Enzyme Assay |
Radioligand binding assays for beta2-adrenoceptors are performed using membrane preparations from CHO cells expressing human beta2 receptors or rat lung membranes. [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-adrenergic agonism use CHO cells expressing human beta2 receptors with a cAMP response element reporter. Cells are seeded in 96-well plates and treated with serial dilutions of Tulobuterol-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.
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| Animal Protocol |
In vivo animal studies with Tulobuterol-d9 are not typically performed as it is primarily an analytical internal standard. Pharmacokinetic studies using the deuterated compound as a tracer involve oral, intravenous, or transdermal administration to rats or dogs, followed by blood and tissue collection at multiple time points. LC-MS/MS analysis quantifies the labeled compound to determine absorption and distribution.
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| ADME/Pharmacokinetics |
The deuterated form is designed as an analytical internal standard for LC-MS/MS quantification of Tulobuterol in biological matrices. It exhibits identical chromatographic retention time as the non-deuterated compound but a distinct mass due to nine deuterium atoms. This allows precise and accurate quantification without isotopic interference for pharmacokinetic studies. The compound is also used as a labeled sympathomimetic drug in research.
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| Toxicity/Toxicokinetics |
As an analytical standard, Tulobuterol-d9 hydrochloride is not intended for therapeutic use and thus toxicology studies are not performed on the labeled compound. The non-deuterated Tulobuterol has an established clinical safety profile as an approved bronchodilator for asthma and COPD, with common side effects including tremor, palpitations, headache, and dry mouth. It is available as a transdermal patch in several countries.
|
| References | |
| Additional Infomation |
Tulobuterol-d9 hydrochloride is a stable isotope-labeled internal standard used exclusively for research and bioanalytical applications. The parent drug Tulobuterol is a long-acting beta2-adrenoceptor agonist that is unique in being available as a transdermal patch for once-daily application. The deuterated version is essential for accurate quantitation in pharmacokinetic studies and metabolic profiling.
|
| Molecular Formula |
C12H10D9CL2NO
|
|---|---|
| Molecular Weight |
273.25
|
| Exact Mass |
272.14
|
| CAS # |
1325559-14-5
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| Related CAS # |
Tulobuterol;41570-61-0
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| PubChem CID |
71312573
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| Appearance |
White to off-white solid powder
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| Melting Point |
156-158° C
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
|
| Heavy Atom Count |
16
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| Complexity |
191
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(C1=CC=CC=C1Cl)O.Cl
|
| InChi Key |
RSLNRVYIRDVHLY-KYRNGWDOSA-N
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| InChi Code |
InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H/i1D3,2D3,3D3;
|
| Chemical Name |
1-(2-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanol;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 |
| 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 | 3.6597 mL | 18.2983 mL | 36.5965 mL | |
| 5 mM | 0.7319 mL | 3.6597 mL | 7.3193 mL | |
| 10 mM | 0.3660 mL | 1.8298 mL | 3.6597 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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