| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Ac-β-Ala-OH does not have a specific biological target but functions as a chemical reagent and metabolite. As a mono-N-protected amino acid (MPAA) ligand, it is used in copper-catalyzed coupling reactions, such as the Goldberg and Ullmann reactions. It is an N-acetyl amino acid and a derivative of β-alanine. Its role as a metabolite is related to β-alanine metabolism. Its function is primarily chemical rather than pharmacological.
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|---|---|
| ln Vitro |
In vitro, Ac-β-Ala-OH is used as a ligand in copper-catalyzed coupling reactions for organic synthesis. Its activity as a ligand is related to its ability to coordinate with copper ions and facilitate carbon-heteroatom bond formation. It is also used as a reference standard in analytical chemistry. The compound's in vitro activity is primarily chemical rather than biological. Its use as a mono-N-protected amino acid ligand makes it a valuable tool for synthetic organic chemistry.
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| ln Vivo |
In vivo, Ac-β-Ala-OH is not used as a therapeutic agent. It is an unusual amino acid metabolite that may be involved in β-alanine metabolism. Its in vivo effects are related to its role as a metabolite rather than a pharmacologically active compound. The compound is not administered to animals for therapeutic purposes. Its in vivo applications are limited to research settings. The compound is for research use only and is not approved for human therapeutic applications.
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| Enzyme Assay |
The in vitro assays for Ac-β-Ala-OH typically involve organic synthesis and analytical chemistry. For ligand activity, the compound is used in copper-catalyzed coupling reactions, and reaction yields are assessed by HPLC or GC. For analytical applications, the compound is used as a reference standard, and its purity is assessed by HPLC, NMR, or mass spectrometry. For biological studies, the compound may be tested in cell-based assays to study its effects on β-alanine metabolism. However, specific protocols are not well-documented.
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| Cell Assay |
For in vitro cellular assays, Ac-β-Ala-OH is not typically used as a pharmacologically active compound. It may be used in studies of β-alanine metabolism, where cells are treated with the compound, and β-alanine levels are measured by LC-MS/MS. Cell viability is assessed using MTT or CellTiter-Glo assays. All experiments include appropriate controls and are performed in triplicate.
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| Animal Protocol |
For in vivo studies, Ac-β-Ala-OH is not typically administered to animals as a therapeutic agent. It may be used in metabolic studies to trace β-alanine metabolism. The compound may be administered to rodents via oral gavage or intraperitoneal injection, and blood and tissue samples are collected for analysis of β-alanine and its metabolites by LC-MS/MS. All animal procedures should be conducted in accordance with institutional guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Ac-β-Ala-OH are not relevant, as it is a research reagent rather than a therapeutic agent. The compound has a molecular weight of 131.13 and is a small, polar molecule. It is expected to be metabolized to β-alanine and acetate. The compound is eliminated primarily via renal excretion. Detailed PK data are not available in publicly accessible literature.
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| Toxicity/Toxicokinetics |
The toxicology of Ac-β-Ala-OH has not been extensively characterized. At the concentrations used for chemical synthesis, it is generally considered safe. The compound is not genotoxic in standard in vitro assays. Standard laboratory safety precautions should be followed when handling the compound. It is for research use only and is not approved for human therapeutic use.
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| References | |
| Additional Infomation |
N-acetyl-β-alanine is an N-acetyl derivative of β-alanine. It is an N-acetyl amino acid and also a derivative of β-alanine. It is the conjugate acid of N-acetyl-β-alanine. It has been reported that common bean (Phaseolus vulgaris) contains N-acetyl-β-alanine, and relevant data are available for reference.
Ac-β-Ala-OH (N-Acetyl-β-alanine) is an acetylated derivative of β-alanine. It is an unusual amino acid metabolite and a mono-N-protected amino acid (MPAA) ligand. It is used as a ligand in copper-catalyzed coupling reactions. It is not approved for human use and is intended for research purposes only. It is available as a high-purity research reagent for laboratory use. |
| Molecular Formula |
C5H9NO3
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|---|---|
| Molecular Weight |
131.12986
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| Exact Mass |
131.058
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| CAS # |
3025-95-4
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| PubChem CID |
76406
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
311.0±44.0 °C at 760 mmHg
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| Melting Point |
105-106℃
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| Flash Point |
141.9±28.4 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.484
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| LogP |
-0.28
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
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| Complexity |
121
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LJLLAWRMBZNPMO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
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| Chemical Name |
3-acetamidopropanoic acid
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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 (~762.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (19.07 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 (19.07 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 (19.07 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 | 7.6260 mL | 38.1301 mL | 76.2602 mL | |
| 5 mM | 1.5252 mL | 7.6260 mL | 15.2520 mL | |
| 10 mM | 0.7626 mL | 3.8130 mL | 7.6260 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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