| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Homovanillic acid-d3 does not have a specific pharmacological receptor target. As a stable isotope-labeled compound, it is used as an internal standard and tracer in analytical studies. The unlabeled compound, Homovanillic Acid, is a dopamine metabolite that has been associated with aromatic amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and adiponectin reductase deficiency. The deuterium labeling allows for the tracking of the compound in biological samples using mass spectrometry.
|
|---|---|
| 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, Homovanillic acid-d3 is not used for conventional biological activity assays. Its primary utility is as an internal standard in analytical chemistry for the quantification of HVA in biological samples. The deuterium labeling provides a distinct mass shift, allowing for accurate quantification and correction for matrix effects. It is crucial for studies involving dopamine metabolism, neurochemical analysis, and biomarker quantification. |
| ln Vivo |
In vivo, Homovanillic acid-d3 is not administered for therapeutic purposes. Its primary use is as an internal standard in analytical studies to quantify HVA levels in biological samples. By using the deuterated analog, researchers can accurately measure the concentration of this dopamine metabolite in pharmacokinetic and metabolic studies. HVA levels in urine are used as a biomarker for dopamine turnover in neuropsychiatric and neurodegenerative disorders.
|
| Enzyme Assay |
For non-cell-based assays, Homovanillic acid-d3 is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. The compound is typically supplied with a purity of ≥95% atom% D. It is not used in receptor binding assays. Its role is to serve as a quantitative internal standard for the analysis of HVA in biological and clinical samples.
|
| Cell Assay |
For in vitro cellular assays, Homovanillic acid-d3 is not typically used for cell-based functional assays. It may be used in cell culture media as a part of sample preparation for LC-MS/MS analysis to quantify HVA uptake or metabolism. The compound is added to biological samples at a known concentration to serve as an internal standard, correcting for variability during sample processing and analysis. It is soluble in DMSO and methanol.
|
| Animal Protocol |
For in vivo animal studies, Homovanillic acid-d3 is used as an internal standard for the quantification of HVA in pharmacokinetic and metabolic studies. Biological samples such as urine or tissue homogenates collected from animals are spiked with a known amount of the deuterated compound. The samples are then processed and analyzed by LC-MS/MS. The ratio of the signal of the analyte to that of the internal standard is used to calculate the concentration of the analyte.
|
| ADME/Pharmacokinetics |
Homovanillic acid-d3 has a molecular weight of 185.19 and a molecular formula of C9H7D3O4. It has a melting point of 135-137°C and appears as a white to off-white solid. The compound is soluble in DMSO and methanol. It should be stored at -20°C. It is a neuroendocrine tumor marker and a labeled metabolite of Dihydroxyphenylacetic Acid (DOPAC) by catechol O-methyltransferase.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Homovanillic acid-d3 is not applicable, as it is used as an analytical standard at very low concentrations. The deuterium substitution is not expected to introduce new toxicities, as deuterium is a stable, non-radioactive isotope of hydrogen. The compound is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
|
| References | |
| Additional Infomation |
Homovanillic acid-d3 (Vanilacetic acid-d3, CAS 74495-71-9) is the deuterium-labeled form of Homovanillic Acid (HVA), a major metabolite of dopamine. It is a valuable biochemical research tool for investigating neuropsychiatric and neurodegenerative disorders such as Parkinson's disease, Alzheimer's disease, and schizophrenia. The deuterium labeling makes it particularly useful in neurochemistry and pharmacokinetics. It is available for research purposes only.
|
| Molecular Formula |
C9H7D3O4
|
|---|---|
| Molecular Weight |
185.19
|
| Exact Mass |
185.077
|
| CAS # |
74495-71-9
|
| Related CAS # |
Homovanillic acid;306-08-1
|
| PubChem CID |
12347941
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.027
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
13
|
| Complexity |
181
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=C(C=CC(=C1)CC(=O)O)O
|
| InChi Key |
QRMZSPFSDQBLIX-FIBGUPNXSA-N
|
| InChi Code |
InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i1D3
|
| Chemical Name |
2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic 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 | 5.3999 mL | 26.9993 mL | 53.9986 mL | |
| 5 mM | 1.0800 mL | 5.3999 mL | 10.7997 mL | |
| 10 mM | 0.5400 mL | 2.6999 mL | 5.3999 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
