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| 5mg |
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| Other Sizes |
| Targets |
The primary target of the non-labeled compound, 3-Amino-2-methylpropanoic acid, is involved in endogenous metabolic pathways. It functions as an endogenous metabolite that acts on the AMPK signaling pathway.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Studies involving the human use of drugs labeled with deuterium suggest that these compounds may offer some advantages when compared with their nondeuterated counterparts. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Deutetrabenazine is the first deuterated drug to receive Food and Drug Administration approval. This deuterated form of the drug tetrabenazine is indicated for the treatment of chorea associated with Huntington's disease as well as tardive dyskinesia. Ongoing clinical trials suggest that a number of other deuterated compounds are being evaluated for the treatment of human diseases and not merely as research tools.[1]
In vitro studies using adipocyte cultures show that BAIBA induces browning of white adipose tissue, as evidenced by increased expression of brown fat markers such as UCP1, PGC-1alpha, and PRDM16, along with elevated mitochondrial content and oxygen consumption. |
| ln Vivo |
Deuterated compounds may, in some cases, offer advantages over nondeuterated forms, often through alterations in clearance. Deuteration may also redirect metabolic pathways in directions that reduce toxicities. The approval of additional deuterated compounds may soon follow. Clinicians will need to be familiar with the dosing, efficacy, potential side effects, and unique metabolic profiles of these new entities.
In vivo studies in rodent models have demonstrated that administration of 3-Amino-2-methylpropanoic acid induces browning of white fat and hepatic beta-oxidation. Plasma levels of this metabolite are inversely correlated with cardiometabolic risk factors such as body mass index, waist circumference, insulin resistance, and triglycerides. |
| Enzyme Assay |
Metabolic flux assays using LC-MS/MS are designed to quantify the conversion of labeled substrate to downstream products. Cell lysates are deproteinized, derivatized, and analyzed on a C18 column with a mobile phase of 0.1% formic acid in acetonitrile and water. Quantitation is performed in multiple reaction monitoring mode.
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| Cell Assay |
Cell culture experiments are performed using adipocyte cell lines (e.g., 3T3-L1). Differentiated adipocytes are treated with varying concentrations of 3-Amino-2-methylpropanoic acid-d3 (1-100 uM) for 24-72 hours. Brown adipocyte markers are assessed by qPCR and Western blot, and metabolic activity is measured by Seahorse extracellular flux analysis.
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| Animal Protocol |
Animal studies involve oral or intraperitoneal administration of the compound (20-100 mg/kg) to rodents. After treatment periods of 7-28 days, animals are sacrificed, and white adipose tissue, brown adipose tissue, and liver are collected. Browning of white fat is assessed by histology (H&E staining), and beta-oxidation is measured by fatty acid oxidation assays.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of deuterated compounds may differ from their non-deuterated counterparts. Due to the kinetic isotope effect, carbon-deuterium bonds are more stable than carbon-hydrogen bonds, potentially leading to altered metabolic stability, slower clearance, prolonged half-life, and reduced formation of toxic metabolites.
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| Toxicity/Toxicokinetics |
Toxicity data for 3-Amino-2-methylpropanoic acid are limited. As an endogenous metabolite, it is generally considered safe at physiological concentrations. No significant toxicities have been reported in animal studies at doses up to 200 mg/kg body weight.
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| References |
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| Additional Infomation |
3-Amino-2-methylpropanoic acid-d3 is a deuterated form of beta-aminoisobutyric acid (BAIBA). The deuterium labeling is used primarily for quantitative LC-MS/MS analysis to accurately measure endogenous levels of BAIBA in biological samples such as plasma, urine, and tissue homogenates. This stable isotope-labeled compound is widely used as an internal standard in metabolomics studies investigating energy metabolism and cardiometabolic disease risk factors.
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| Molecular Formula |
C4H6D3NO2
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|---|---|
| Molecular Weight |
106.14
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| Exact Mass |
106.082
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| CAS # |
1219803-65-2
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| PubChem CID |
131869355
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| Appearance |
Solid powder
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| LogP |
-2.9
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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 |
7
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| Complexity |
72.1
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C([2H])(C)C(=O)O)N
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| InChi Key |
QCHPKSFMDHPSNR-UHVFUKFASA-N
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| InChi Code |
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3D
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| Chemical Name |
3-amino-2,3,3-trideuterio-2-methylpropanoic 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 | 9.4215 mL | 47.1076 mL | 94.2152 mL | |
| 5 mM | 1.8843 mL | 9.4215 mL | 18.8430 mL | |
| 10 mM | 0.9422 mL | 4.7108 mL | 9.4215 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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