| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
4-Benzyl Albuterol is a precursor to albuterol (salbutamol), which is a short-acting, selective beta2-adrenergic receptor agonist. Albuterol exhibits 29-fold higher selectivity for beta2 receptors over beta1 receptors and shows greater specificity for pulmonary beta receptors versus beta1-adrenergic receptors in the heart. As a synthetic intermediate, 4-Benzyl Albuterol itself does not possess significant pharmacological activity at beta-adrenergic receptors because the phenolic hydroxyl group, essential for receptor binding and activation, is protected by the benzyl group.
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| ln Vitro |
4-Benzyl Albuterol itself does not exhibit significant beta-adrenergic agonist activity due to the benzyl protection of the phenolic hydroxyl group. Its deprotected form, albuterol, is a potent beta2-adrenergic receptor agonist that relaxes airway smooth muscle by stimulating beta2 receptors, increasing intracellular cAMP. In contrast to albuterol, which is a potent bronchodilator with 29-fold selectivity for β2 over β1, 4-Benzyl Albuterol's primary utility lies in its role within the synthetic pathway and as a critical marker in pharmaceutical purity testing.
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| ln Vivo |
4-Benzyl Albuterol is not pharmacologically active in vivo as a bronchodilator because the benzyl-protected phenolic hydroxyl prevents effective binding to beta-adrenergic receptors. Following deprotection, the resulting albuterol is a short-acting beta2 agonist that produces bronchodilation in the lungs. The compound is used as a synthetic intermediate and impurity standard in pharmaceutical manufacturing rather than as a therapeutic agent.
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| Enzyme Assay |
As a synthetic intermediate and reference standard, 4-Benzyl Albuterol is not typically subjected to receptor binding assays. However, analytical methods such as high-performance liquid chromatography (HPLC) and mass spectrometry are used to quantify the compound in pharmaceutical formulations and to monitor its presence as an impurity in albuterol drug products. Chromatographic separation is typically performed using C18 reverse-phase columns with mobile phases containing acetonitrile and buffer solutions.
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| Cell Assay |
4-Benzyl Albuterol is not typically used in cell-based pharmacological assays as it is not a biologically active compound. However, cell-based assays may be employed to evaluate the potential biological activity of impurities or degradation products. The compound may be tested in cytotoxicity screening to ensure that residual levels in pharmaceutical products are safe. Standard cell viability assays (e.g., MTT or CCK-8) can be used with appropriate cell lines to assess any potential cytotoxic effects.
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| Animal Protocol |
As a synthetic intermediate and reference standard, 4-Benzyl Albuterol is not used in animal efficacy studies. The compound may be administered to animals in pharmacokinetic or toxicokinetic studies to evaluate its fate following exposure, particularly in the context of impurity safety assessment for pharmaceutical products. Such studies typically involve oral or intravenous administration to rodents, with blood and tissue sampling for analysis by LC-MS/MS.
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| ADME/Pharmacokinetics |
As a synthetic intermediate and not a therapeutic agent, comprehensive pharmacokinetic data for 4-Benzyl Albuterol are not typically published. The compound's physicochemical properties include a molecular weight of 329.43, LogP of 3.57, and moderate lipophilicity. Following oral administration, the compound would be expected to undergo absorption and metabolism, including deprotection of the benzyl group to yield albuterol. Pharmacokinetic studies may be conducted to characterize the disposition of impurities in pharmaceutical products for regulatory purposes.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-Benzyl Albuterol are limited as it is a synthetic intermediate rather than a therapeutic agent. As a benzyl-protected compound, it may be subject to metabolic deprotection to release benzyl alcohol derivatives, which have known toxicity profiles. The compound should be handled with appropriate laboratory safety precautions. In pharmaceutical manufacturing, impurity limits are established to ensure that any residual 4-Benzyl Albuterol in albuterol drug products remains below acceptable safety thresholds.
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| References |
J. Pharm. Pharmacol., 1970, 22, 46 (1970); J. Med. Chem., 1970, 13, 674.
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| Additional Infomation |
4-Benzyl Albuterol is a chiral compound and the (-)-enantiomer serves as a key chiral building block in the industrial synthesis of levalbuterol, the R-enantiomer of albuterol. Optically active 4-benzyl albuterol has been shown to have higher potency than the racemic form. The compound is a critical intermediate, not a final drug product. It is available as a reference standard for pharmaceutical quality control and impurity profiling.
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| Molecular Formula |
C20H27NO3
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|---|---|
| Molecular Weight |
329.43
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| Exact Mass |
329.199
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| CAS # |
56796-66-8
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| PubChem CID |
92535
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.12g/cm3
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| Boiling Point |
510.1ºC at 760mmHg
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| Flash Point |
262.3ºC
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| Index of Refraction |
1.574
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| LogP |
3.57
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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 |
24
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| Complexity |
349
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)NCC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)CO)O
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| InChi Key |
ICDQPCBDGAHBGG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3
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| Chemical Name |
2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
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| Synonyms |
α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol 1-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(tert-butylamino)ethanol
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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 | 3.0355 mL | 15.1777 mL | 30.3555 mL | |
| 5 mM | 0.6071 mL | 3.0355 mL | 6.0711 mL | |
| 10 mM | 0.3036 mL | 1.5178 mL | 3.0355 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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