| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
Isovaleric acid-d9 does not have a specific pharmacological target as it is a stable isotope-labeled internal standard rather than a therapeutic drug. Isovaleric acid itself is a metabolite involved in leucine metabolism and is a component of the odor of certain cheeses and sweat. The deuterated form is used as an internal standard for the quantification of isovaleric acid in biological samples by GC-MS or LC-MS.
|
|---|---|
| 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].
In vitro activity of Isovaleric acid-d9 is not evaluated as a bioactive compound. Its utility lies in its role as an internal standard for mass spectrometry-based quantification of isovaleric acid and related short-chain fatty acids. It is used in analytical method development to accurately measure isovaleric acid levels in biological fluids, food samples, and environmental samples. |
| ln Vivo |
In vivo, Isovaleric acid-d9 is not administered as a therapeutic agent. It is used as an internal standard in research studies to quantify isovaleric acid and related metabolites in biological samples. Isovaleric acid is a natural metabolite involved in leucine catabolism. The deuterated compound ensures accurate measurement by compensating for matrix effects in mass spectrometry analysis.
|
| Enzyme Assay |
In vitro enzyme assays with Isovaleric acid-d9 typically involve using the compound as an internal standard in assays that measure the activity of enzymes involved in branched-chain amino acid metabolism. The deuterated standard is added to samples to control for extraction efficiency and ionization suppression in mass spectrometry analysis. Standard protocols involve spiking samples with the deuterated standard and analyzing by GC-MS or LC-MS.
|
| Cell Assay |
Isovaleric acid-d9 is not typically used in cell culture experiments as a bioactive compound. However, it may be employed as an internal standard in cell-based studies investigating branched-chain amino acid metabolism or short-chain fatty acid signaling. Cells are treated with isovaleric acid or related compounds, and the deuterated standard is used to quantify these compounds in cell lysates or culture media.
|
| Animal Protocol |
In vivo animal experiments with Isovaleric acid-d9 typically involve using the compound as an internal standard in metabolic studies of branched-chain amino acids or short-chain fatty acids. Animals are administered isovaleric acid or related compounds, and blood, urine, and tissue samples are collected. The deuterated standard is added to samples to quantify isovaleric acid and its metabolites by GC-MS or LC-MS.
|
| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Isovaleric acid-d9 are relevant to its use as an internal standard. The deuterated compound has essentially identical physicochemical properties to the unlabeled isovaleric acid, making it an ideal internal standard for PK studies of isovaleric acid metabolism. It co-elutes with the analyte during chromatography and has similar ionization efficiency in mass spectrometry.
|
| Toxicity/Toxicokinetics |
Isovaleric acid-d9 has a low toxicity profile consistent with its use as an analytical standard. Isovaleric acid is a naturally occurring metabolite and is generally safe at physiological concentrations. The deuterium label does not introduce additional toxicity. Standard laboratory safety practices are sufficient for handling. It is not classified as a hazardous substance.
|
| References | |
| Additional Infomation |
Isovaleric acid-d9 is a deuterated form of isovaleric acid used as an internal standard for the quantification of isovaleric acid and related short-chain fatty acids in biological, food, and environmental samples by GC-MS or LC-MS. Isovaleric acid is a branched-chain short-chain fatty acid and a natural metabolite. The compound is not a drug and has no therapeutic indications.
|
| Molecular Formula |
C5HD9O2
|
|---|---|
| Molecular Weight |
111.19
|
| Exact Mass |
111.124
|
| CAS # |
344298-81-3
|
| Related CAS # |
Isovaleric acid;503-74-2
|
| PubChem CID |
102601087
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
175.3±8.0 °C at 760 mmHg
|
| Flash Point |
70.6±0.0 °C
|
| Vapour Pressure |
0.6±0.7 mmHg at 25°C
|
| Index of Refraction |
1.418
|
| LogP |
1.13
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
7
|
| Complexity |
66.5
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])(C(=O)O)[2H]
|
| InChi Key |
GWYFCOCPABKNJV-CBZKUFJVSA-N
|
| InChi Code |
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
|
| Chemical Name |
2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic 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) |
DMSO: 100 mg/mL (899.36 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (22.48 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 (22.48 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 (22.48 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 | 8.9936 mL | 44.9681 mL | 89.9361 mL | |
| 5 mM | 1.7987 mL | 8.9936 mL | 17.9872 mL | |
| 10 mM | 0.8994 mL | 4.4968 mL | 8.9936 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
