| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Adipic acid-d4 does not target a specific receptor or enzyme as a pharmacological agent. Its utility lies in its function as a stable isotope-labeled internal standard for analytical chemistry. It is used in mass spectrometry to quantify adipic acid levels in biological samples, which is important for diagnosing and studying metabolic disorders.
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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].
In vitro, adipic acid-d4 is not used to study biological activity but rather as an analytical standard. It is added to biological samples (e.g., plasma, urine) as an internal standard for the quantification of adipic acid using LC-MS or GC-MS. The deuterium label allows for the differentiation of the standard from the endogenous compound. |
| ln Vivo |
In vivo, adipic acid-d4 is not administered as a therapeutic agent. It may be used in tracer studies to investigate the metabolism of adipic acid, but its primary application is as an analytical standard. Adipic acid itself has been reported to have anti-HSV-1 activity, but the deuterated form is used exclusively for research purposes.
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| Enzyme Assay |
Cell-free assays for adipic acid-d4 are not applicable, as the compound is not used in enzymatic or receptor binding studies. Its use is limited to analytical chemistry applications where it serves as an internal standard for the quantification of adipic acid in various matrices.
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| Cell Assay |
In vitro cellular experiments with adipic acid-d4 are not performed, as the compound is not used to treat cells. It may be added to cell culture media as a tracer for metabolic studies, but its primary role is as an analytical standard for sample preparation and analysis.
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| Animal Protocol |
In vivo animal studies with adipic acid-d4 are not typical. The compound is not administered to animals as a drug. However, it could be used in pharmacokinetic studies to trace the metabolism of adipic acid if administered as part of a labeled tracer experiment.
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| ADME/Pharmacokinetics |
The pharmacokinetics of adipic acid-d4 are expected to be identical to those of unlabeled adipic acid. Adipic acid is absorbed from the gastrointestinal tract and undergoes metabolism. The deuterium label does not significantly alter the compound's chemical properties, so its absorption, distribution, metabolism, and excretion are the same as those of the natural compound.
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| Toxicity/Toxicokinetics |
Adipic acid-d4 is a stable isotope with no known toxicity. It is chemically stable if stored under recommended conditions. The compound is considered safe for use in research applications. Standard laboratory safety practices apply when handling the compound.
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| References | |
| Additional Infomation |
Adipic acid-d4 is a research compound with no clinical applications or regulatory approvals. It is used as a stable isotope-labeled internal standard for the quantification of adipic acid in biological samples. Its association with metabolic disorders makes it a valuable tool for studying inborn errors of metabolism.
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| Molecular Formula |
C6H6D4O4
|
|---|---|
| Molecular Weight |
150.17
|
| Exact Mass |
150.083
|
| CAS # |
121311-78-2
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| Related CAS # |
Adipic acid;124-04-9
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| PubChem CID |
56845925
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
338.5±15.0 °C at 760 mmHg
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| Flash Point |
196.1±0.0 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.476
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| LogP |
0.08
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
|
| Heavy Atom Count |
10
|
| Complexity |
114
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])(CC(=O)O)C([2H])([2H])CC(=O)O
|
| InChi Key |
WNLRTRBMVRJNCN-LNLMKGTHSA-N
|
| InChi Code |
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/i1D2,2D2
|
| Chemical Name |
3,3,4,4-tetradeuteriohexanedioic 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) |
DMSO: ≥ 100 mg/mL (~665.9 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (33.30 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (33.30 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (33.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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