| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| Other Sizes |
| Targets |
beta2-adrenergic receptor (agonist, pEC50=9.6); beta1-adrenergic receptor (pEC50=6.1); beta3-adrenergic receptor (pEC50=5.9)
|
|---|---|
| ln Vitro |
No specific in vitro assays for the deuterated form are provided. The non-deuterated parent Salmeterol is a potent and selective human beta2 adrenoceptor agonist. It shows potent stimulation of cAMP accumulation in CHO cells expressing human beta2 adrenoceptors with a pEC50 of 9.6. Receptor selectivity is demonstrated by pEC50 values of 6.1 for beta1 and 5.9 for beta3.
|
| ln Vivo |
Cellular activity data for the deuterated form are not specifically reported. The non-deuterated Salmeterol activates beta2-adrenergic receptors on bronchial smooth muscle cells, increasing intracellular cAMP via Gs protein activation. This leads to bronchodilation, reduced inflammation, and improved mucociliary clearance. It is a long-acting beta2 agonist (LABA) used in asthma and COPD.
|
| Enzyme Assay |
Radioligand binding assays for beta2-adrenoceptors are performed using membrane preparations from CHO cells expressing human beta2 receptors. [3H]-CGP12177 or [¹2⁵I]-cyanopindolol is used as the radioligand. Test compound is incubated with membranes at varying concentrations for 60 min at 25degC. Bound radioligand is separated by filtration through glass fiber filters 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, beta1, or beta3 adrenoceptors with a cAMP response element reporter. Cells are seeded in 96-well plates and treated with serial dilutions of Salmeterol-d3 (or non-deuterated reference) for 30 min. Agonist activity is measured by quantifying intracellular cAMP accumulation via HTRF or ELISA. pEC50 values are calculated from concentration-response curves.
|
| Animal Protocol |
In vivo animal studies with Salmeterol-d3 are not typically performed as it is primarily an analytical internal standard. Pharmacokinetic studies using the deuterated compound as a tracer involve oral or inhaled administration to rats or dogs, followed by blood and lung tissue collection at multiple time points. LC-MS/MS analysis quantifies the labeled compound to determine absorption and distribution.
|
| ADME/Pharmacokinetics |
The deuterated form is designed as an analytical internal standard for LC-MS/MS quantification of Salmeterol in biological matrices. It exhibits identical chromatographic retention time as the non-deuterated compound but a distinct mass due to three deuterium atoms. This allows precise and accurate quantification without isotopic interference for pharmacokinetic studies. A representative lot is 98% isotopically pure, 94% d3, 6% d2 with no d0.
|
| Toxicity/Toxicokinetics |
As an analytical standard, Salmeterol-d3 is not intended for therapeutic use and thus toxicology studies are not performed on the labeled compound. The non-deuterated Salmeterol has an established clinical safety profile as an approved long-acting beta2 agonist for asthma and COPD, with common side effects including tremor, palpitations, and headache.
|
| References | |
| Additional Infomation |
Salmeterol-d3 is a stable isotope-labeled internal standard used exclusively for research and bioanalytical applications. The parent drug Salmeterol was first approved by the FDA in 1994 and is marketed under the brand name Serevent. The deuterated version facilitates accurate quantitation in pharmacokinetic studies, therapeutic drug monitoring, and metabolic profiling of Salmeterol.
|
| Molecular Formula |
C25H34D3NO4
|
|---|---|
| Molecular Weight |
418.58
|
| Exact Mass |
418.291
|
| CAS # |
497063-94-2
|
| PubChem CID |
10938665
|
| Appearance |
White to off-white solid powder
|
| Density |
1.12g/cm3
|
| Boiling Point |
603.021ºC at 760 mmHg
|
| Melting Point |
75.5-76.6ºC
|
| Flash Point |
318.496ºC
|
| Index of Refraction |
1.566
|
| LogP |
4.498
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
30
|
| Complexity |
403
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])(C1=C(C=CC(=C1)C([2H])(CNCCCCCCOCCCCC2=CC=CC=C2)O)O)O
|
| InChi Key |
GIIZNNXWQWCKIB-LPUTUNIKSA-N
|
| InChi Code |
InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/i20D2,25D
|
| Chemical Name |
4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (238.90 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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 (5.97 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 (5.97 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 | 2.3890 mL | 11.9451 mL | 23.8903 mL | |
| 5 mM | 0.4778 mL | 2.3890 mL | 4.7781 mL | |
| 10 mM | 0.2389 mL | 1.1945 mL | 2.3890 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
