| Size | Price | Stock | Qty |
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| 10mg |
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| Other Sizes |
| Targets |
Acts as an analytical internal standard via isotope dilution, not a drug targeting a specific receptor. However, because it is chemically identical to endogenous beta-alanine, it follows the same metabolic pathways. beta-Alanine is taken up by transporters (e.g., TauT and PAT1) and is converted to carnosine by carnosine synthase in skeletal muscle and brain. It serves as a rate-limiting substrate for carnosine production, which in turn buffers muscle pH and chelates metal ions. The deuterated version does not alter these pathways but enables their precise quantitation.
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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].
Not applicable for biological activity; it is a tracer. In vitro, beta-alanine-d4 is spiked into cell lysates or incubation mixtures to serve as an internal standard. Its utility is demonstrated by linearity, accuracy, and precision in LC-MS/MS methods, with typical recovery rates of 95-105% and no ion suppression. It has no intrinsic cytotoxic or pharmacological effect in cell cultures; it is merely a quantification aid. |
| ln Vivo |
Not applicable for therapeutic in vivo activity. In animal studies, beta-alanine-d4 is administered as a tracer (often intravenously or orally) to study the pharmacokinetics of beta-alanine or carnosine metabolism. It is used to calculate absolute bioavailability, tissue distribution, and elimination kinetics. In a typical rat study, a known amount of beta-alanine-d4 is dosed, and serial plasma samples are analyzed to determine endogenous beta-alanine levels via isotope ratio, correcting for matrix effects and individual variation.
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| Enzyme Assay |
Not applicable, as there is no enzyme or receptor binding. For method development: a standard in vitro LC-MS/MS workflow involves preparing calibration standards in blank matrix (e.g., charcoal-stripped plasma) with known concentrations of unlabeled beta-alanine, spiking a fixed concentration (e.g., 100 ng/mL) of beta-alanine-d4 as internal standard. Samples are protein-precipitated with acetonitrile or methanol, centrifuged, and the supernatant is injected onto a C18 column. The mass spectrometer monitors transitions: for beta-alanine-d4, m/z 94→48 (or similar depending on derivatization).
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| Cell Assay |
Not applicable for drug response. For cellular metabolism studies, cells are cultured in standard medium, then lysed with ice-cold extraction solvent (e.g., 80% methanol) containing a fixed amount of beta-alanine-d4 (e.g., 50 ng per 1e6 cells). After centrifugation, the supernatant is dried and reconstituted for LC-MS/MS. The internal standard corrects for varying extraction efficiency and matrix effects, enabling absolute quantitation of cellular beta-alanine and its metabolites.
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| Animal Protocol |
For pharmacokinetic animal studies: Male Sprague-Dawley rats (8-10 weeks) are administered unlabeled beta-alanine (e.g., 100 mg/kg orally) along with a fixed dose of beta-alanine-d4 (e.g., 10 microg/kg IV as a tracer). Blood samples are collected at 0, 0.25, 0.5, 1, 2, 4, 6, 8, 12, and 24 hours. Plasma is processed with acetonitrile containing additional beta-alanine-d4 (as working internal standard) and analyzed by LC-MS/MS. Concentrations of labeled and unlabeled beta-alanine are determined via isotope ratios, and PK parameters (Cmax, T1/2, AUC) are calculated using non-compartmental analysis.
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| ADME/Pharmacokinetics |
Not applicable; beta-alanine-d4 is not used as a therapeutic agent. For the unlabeled compound, beta-alanine has an oral bioavailability of ~5-30% due to saturable absorption and first-pass metabolism. The plasma half-life is short (~0.5-1 h in rodents), and it is rapidly taken up by muscle or excreted unchanged in urine. Tissue distribution is highest in skeletal muscle, heart, and brain. beta-Alanine-d4 exhibits identical pharmacokinetics and is used to avoid isotopic effects.
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| Toxicity/Toxicokinetics |
beta-Alanine-d4 is considered non-toxic at the trace concentrations used for internal standard purposes (typically <1 mg/kg). For the unlabeled compound, high doses (e.g., >10 g/day in humans) cause transient paresthesia (tingling sensation) due to activation of the Mas-related G-protein-coupled receptor member D (MrgprD). No chronic toxicity, genotoxicity, or carcinogenicity is associated with beta-alanine. The deuterated version is handled with standard laboratory precautions, but no special toxicity is expected.
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| References | |
| Additional Infomation |
beta-Alanine-d4 is strictly a research chemical, not approved for clinical use. It is not a drug, but an analytical tool. It is commonly used in metabolomics studies, sports nutrition research (to monitor carnosine loading), and neurological disease models (e.g., Alzheimer's, epilepsy). It has no therapeutic indication. Its value lies in enabling accurate, reproducible quantitation of beta-alanine in complex biological samples, which is essential for understanding its role as a neurotransmitter modulator and exercise performance enhancer.
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| Molecular Formula |
C3H3D4NO2
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|---|---|
| Molecular Weight |
93.117827112
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| Exact Mass |
93.072
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| CAS # |
116173-67-2
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| Related CAS # |
β-Alanine;107-95-9
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| PubChem CID |
10844336
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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 |
237.1±23.0 °C at 760 mmHg
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| Melting Point |
>198°C
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| Flash Point |
97.2±22.6 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.463
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| LogP |
-0.86
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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 |
2
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| Heavy Atom Count |
6
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| Complexity |
52.8
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C(=O)O)C([2H])([2H])N
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| InChi Key |
UCMIRNVEIXFBKS-LNLMKGTHSA-N
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| InChi Code |
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2
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| Chemical Name |
3-amino-2,2,3,3-tetradeuteriopropanoic 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) |
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 | 10.7388 mL | 53.6942 mL | 107.3883 mL | |
| 5 mM | 2.1478 mL | 10.7388 mL | 21.4777 mL | |
| 10 mM | 1.0739 mL | 5.3694 mL | 10.7388 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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