| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
(Rac)-3-Aminoisobutyric acid-d3 HCl does not target a specific protein. The unlabeled compound is an intermediate in the metabolism of thymine and valine. It is a naturally occurring non-proteinogenic beta-amino acid. Its levels in plasma and urine are associated with various metabolic conditions.
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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 affect a drug's pharmacokinetics and metabolic properties, it is a cause for concern [75].
The unlabeled compound is a metabolite, not a drug with intrinsic bioactivity. Elevated levels of 3-aminoisobutyric acid are associated with metabolic disorders such as propionic acidemia and methylmalonic acidemia. It is also studied as a potential marker for diabetes, renal function, and cancer. |
| ln Vivo |
Dedicated in vivo activity studies are not performed for this labeled compound. The unlabeled 3-aminoisobutyric acid is a natural metabolite. It is cleared by the kidneys. The labeled compound is used as an internal standard to accurately quantify the unlabeled metabolite in PK or metabolic studies.
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| Enzyme Assay |
(Rac)-3-Aminoisobutyric acid-d3 HCl is used as an analytical internal standard. Known amounts are spiked into biological samples (e.g., plasma, urine, cerebrospinal fluid) before extraction. The samples are analyzed by LC-MS/MS. The deuterium label provides a distinct mass shift for accurate quantification.
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| Cell Assay |
Cell-based assays are not typically performed for this compound. It is a metabolite and analytical standard. Its concentration in cell culture media can be measured using the labeled compound as an internal standard in LC-MS/MS methods to study cellular metabolism of thymine, valine, or beta-alanine pathways.
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| Animal Protocol |
In animal PK or metabolic studies, (Rac)-3-Aminoisobutyric acid-d3 HCl is used as an internal standard. The unlabeled compound is a natural metabolite. In stable isotope tracer studies, labeled forms (e.g., 3-aminoisobutyric acid-13C) are administered, and the d3-labeled standard is used for quantification.
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| ADME/Pharmacokinetics |
As an internal standard, (Rac)-3-Aminoisobutyric acid-d3 HCl is not administered to animals for PK assessment of itself. Unlabeled 3-aminoisobutyric acid is rapidly cleared by the kidneys, with a short half-life. Its levels in plasma are normally low (uM range). Detailed PK parameters are not typically reported.
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| Toxicity/Toxicokinetics |
(Rac)-3-Aminoisobutyric acid is a naturally occurring metabolite. At normal physiological levels, it is non-toxic. The labeled compound is used at trace levels as an analytical internal standard and poses no toxicity risk. Standard laboratory safety precautions for handling fine chemicals apply.
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| References | |
| Additional Infomation |
(Rac)-3-Aminoisobutyric acid-d3 HCl is a stable isotope-labeled compound (CAS 1346602-62-7). It is used as an analytical internal standard for metabolomics studies. It is strictly for research use and is not a therapeutic drug.
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| Molecular Formula |
C4H10CLNO2
|
|---|---|
| Molecular Weight |
139.580700397491
|
| Exact Mass |
142.058
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| CAS # |
1346602-62-7
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| PubChem CID |
71313267
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| Appearance |
White to off-white solid powder
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| Melting Point |
128-131°C
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
8
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| Complexity |
72.1
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
NCC(C)C(O)=O.Cl
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| InChi Key |
CGGBOMJVYQTWRN-NIIDSAIPSA-N
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| InChi Code |
InChI=1S/C4H9NO2.ClH/c1-3(2-5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/i1D3;
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| Chemical Name |
2-(aminomethyl)-3,3,3-trideuteriopropanoic acid;hydrochloride
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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 | 7.1644 mL | 35.8218 mL | 71.6435 mL | |
| 5 mM | 1.4329 mL | 7.1644 mL | 14.3287 mL | |
| 10 mM | 0.7164 mL | 3.5822 mL | 7.1644 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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