| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
As a labeled amino acid, H-Abu-OH-d6 does not have a specific pharmacological target. H-Abu-OH is one of the three isomers of aminobutyric acid and is involved in amino acid metabolism. Its levels are elevated in various metabolic diseases. The deuterated form is used to trace aminobutyric acid metabolism and its role in metabolic disorders.
|
|---|---|
| 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].
H-Abu-OH-d6 is used in vitro as a tracer to study aminobutyric acid metabolism. The compound is incorporated into cell culture media to track amino acid uptake and metabolism. It does not exhibit intrinsic pharmacological activity but serves as a quantitative tool for studying cellular metabolism and metabolic disorders. |
| ln Vivo |
In vivo, H-Abu-OH-d6 is used in metabolic studies to trace the absorption, distribution, metabolism, and excretion of H-Abu-OH. The deuterium label allows for precise quantification of the compound and its metabolites in biological fluids and tissues using mass spectrometry. It is used to study metabolic diseases such as Reye's syndrome, tyrosinemia, and homocystinuria.
|
| Enzyme Assay |
As an analytical standard, H-Abu-OH-d6 is used in amino acid analysis and metabolomics studies. Typical protocols involve spiking the labeled compound into samples prior to analysis by GC-MS or LC-MS. The compound serves as an internal standard to correct for matrix effects and instrument variability.
|
| Cell Assay |
In vitro cell culture experiments using H-Abu-OH-d6 involve supplementing growth media with the labeled compound at defined concentrations. Cells are cultured for specified periods, after which the metabolism of the compound is analyzed by mass spectrometry. The compound can also be used to study amino acid transport and metabolism in various cell types.
|
| Animal Protocol |
In vivo animal studies using H-Abu-OH-d6 typically involve administering the compound to rodents via oral gavage or intravenous injection. Blood, urine, and tissue samples are collected at various time points to track the distribution and metabolism of the compound. The deuterium label allows for precise quantification using mass spectrometry.
|
| ADME/Pharmacokinetics |
H-Abu-OH-d6 exhibits pharmacokinetic properties similar to those of unlabeled H-Abu-OH. As an amino acid, it is absorbed from the gastrointestinal tract and distributed throughout the body. It is metabolized primarily in the liver and excreted in urine. The deuterium label provides a distinct mass shift for analytical detection without significantly altering the compound's physicochemical properties.
|
| Toxicity/Toxicokinetics |
H-Abu-OH-d6 is considered safe for research use at typical concentrations. The compound is non-hazardous for transport and stable if stored under recommended conditions. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
|
| References | |
| Additional Infomation |
H-Abu-OH-d6 has a molecular formula of C₄H₃D₆NO₂ and a molecular weight of 109.16. Purity is typically 98 atom% D. The compound appears as a white to off-white solid and is stored at -20°C. It is primarily used as an internal standard for mass spectrometry-based quantification of H-Abu-OH in metabolomics studies.
|
| Molecular Formula |
C4H9NO2
|
|---|---|
| Molecular Weight |
103.119761228561
|
| Exact Mass |
109.1
|
| CAS # |
1276197-51-3
|
| Related CAS # |
H-Abu-OH;1492-24-6
|
| PubChem CID |
162343647
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
215.2±23.0 °C at 760 mmHg
|
| Melting Point |
>245°C
|
| Flash Point |
83.9±22.6 °C
|
| Vapour Pressure |
0.1±0.9 mmHg at 25°C
|
| Index of Refraction |
1.462
|
| LogP |
-0.15
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
7
|
| Complexity |
72.1
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
[2H][C@@](C(=O)O)(C([2H])([2H])C([2H])([2H])[2H])N
|
| InChi Key |
QWCKQJZIFLGMSD-MADGHGEDSA-N
|
| InChi Code |
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/i1D3,2D2,3D
|
| Chemical Name |
(2S)-2-amino-2,3,3,4,4,4-hexadeuteriobutanoic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 9.6974 mL | 48.4872 mL | 96.9744 mL | |
| 5 mM | 1.9395 mL | 9.6974 mL | 19.3949 mL | |
| 10 mM | 0.9697 mL | 4.8487 mL | 9.6974 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
