| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The primary target of 3,4-Dihydroxybenzeneacetic acid-d5 is the dopaminergic system, as it is a labeled analog of the major dopamine metabolite. It is used to study dopamine metabolism and the enzymes involved in catecholamine degradation, such as monoamine oxidase (MAO) and catechol-O-methyltransferase (COMT).
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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, 3,4-Dihydroxybenzeneacetic acid-d5 is used as a quantitative tracer in drug development studies. The compound is employed in LC-MS/MS assays for the accurate quantification of dopamine metabolites in biological samples. Its deuterium labeling provides a distinct mass shift, enabling precise measurement of endogenous 3,4-dihydroxybenzeneacetic acid levels in various in vitro systems. |
| ln Vivo |
In vivo, 3,4-Dihydroxybenzeneacetic acid-d5 is used as a tracer in metabolic studies to track dopamine turnover and metabolism in animal models. The compound can be administered to study the pharmacokinetics and metabolic fate of dopamine in the central nervous system. As a stable isotope-labeled compound, it allows for accurate quantification of dopamine metabolism without interference from endogenous compounds.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays using 3,4-Dihydroxybenzeneacetic acid-d5 typically involve LC-MS/MS analysis with the labeled compound serving as an internal standard. The assay measures the activity of enzymes involved in dopamine metabolism, such as MAO and COMT. The labeled standard is spiked into samples containing biological matrices, and the ratio of labeled to unlabeled metabolite is used to quantify enzyme activity and metabolite levels.
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| Cell Assay |
In vitro cell experiments with 3,4-Dihydroxybenzeneacetic acid-d5 involve culturing neuronal or other relevant cell lines and treating them with the compound to study dopamine metabolism. The labeled metabolite is extracted from cell lysates or culture media and analyzed by LC-MS/MS. The deuterated form allows for the precise tracking of dopamine degradation pathways and the effects of various drugs or genetic manipulations on these pathways.
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| Animal Protocol |
In vivo animal experiments using 3,4-Dihydroxybenzeneacetic acid-d5 involve administering the labeled compound to animal models, typically via intravenous or intraperitoneal injection. Blood, urine, or brain tissue samples are collected at various time points and analyzed by LC-MS/MS to quantify the labeled metabolite. This approach is used to study the pharmacokinetics of dopamine metabolism and the effects of pharmacological interventions on catecholamine turnover.
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| ADME/Pharmacokinetics |
As a stable isotope-labeled compound, 3,4-Dihydroxybenzeneacetic acid-d5 exhibits pharmacokinetic properties similar to its unlabeled counterpart, but with the advantage of being distinguishable by mass spectrometry. It is used as an internal standard to correct for matrix effects, ionization suppression, and analyte loss during sample preparation in LC-MS/MS assays. The compound is soluble in DMSO and other organic solvents.
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| Toxicity/Toxicokinetics |
Toxicological data for 3,4-Dihydroxybenzeneacetic acid-d5 are limited, as the compound is used primarily as an analytical standard in research settings. The unlabeled parent compound, 3,4-dihydroxybenzeneacetic acid, is a natural metabolite of dopamine and is generally considered to have low toxicity. The deuterated form is expected to have a similar safety profile.
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| References | |
| Additional Infomation |
3,4-Dihydroxybenzeneacetic acid-d5 is a research-use-only compound with no approved therapeutic indications or clinical trials. Its primary application is as an internal standard in analytical chemistry for the quantification of dopamine metabolites in biological samples. The deuterium labeling provides a distinct mass shift (M+5) that enables accurate and precise measurements in complex matrices, making it an essential tool in neurochemistry and pharmacokinetic research.
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| Molecular Formula |
C8H8O4
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|---|---|
| Molecular Weight |
173.177531242371
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| Exact Mass |
173.073
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| CAS # |
60696-39-1
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| Related CAS # |
3,4-Dihydroxybenzeneacetic acid;102-32-9
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| PubChem CID |
76973825
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| Appearance |
Light brown to gray solid powder
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| LogP |
0.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
168
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1([2H])C(O)=C(O)C([2H])=C([2H])C=1C([2H])([2H])C(O)=O
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| InChi Key |
CFFZDZCDUFSOFZ-QUWGTZMWSA-N
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| InChi Code |
InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/i1D,2D,3D,4D2
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| Chemical Name |
2,2-dideuterio-2-(2,3,6-trideuterio-4,5-dihydroxyphenyl)acetic 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 | 5.7743 mL | 28.8717 mL | 57.7434 mL | |
| 5 mM | 1.1549 mL | 5.7743 mL | 11.5487 mL | |
| 10 mM | 0.5774 mL | 2.8872 mL | 5.7743 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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