| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| Other Sizes |
| Targets |
4-Hydroxy-3-methoxy benzaldehyde-d3 does not have a specific pharmacological receptor target. As a stable isotope-labeled compound, it is used as an internal standard in analytical chemistry. Vanillin, the unlabeled compound, is a flavoring agent with some antioxidant properties. The deuterium labeling allows for the accurate quantification of vanillin 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, 4-Hydroxy-3-methoxy benzaldehyde-d3 is not used for biological activity assays. Its primary utility is as an internal standard in analytical chemistry. It is used to accurately quantify levels of vanillin in food, pharmaceutical, and biological samples. The deuterium labeling provides a distinct mass shift for mass spectrometry detection. |
| ln Vivo |
In vivo, 4-Hydroxy-3-methoxy benzaldehyde-d3 is not administered for therapeutic purposes. Its primary use is as an internal standard in analytical studies to quantify vanillin levels in biological samples. By using the deuterated analog, researchers can accurately measure the concentration of vanillin in pharmacokinetic and metabolic studies.
|
| Enzyme Assay |
For non-cell-based assays, 4-Hydroxy-3-methoxy benzaldehyde-d3 is used as an analytical standard. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. It is not used in receptor binding assays. Its role is to serve as a quantitative internal standard for the analysis of vanillin in various matrices.
|
| Cell Assay |
For in vitro cellular assays, 4-Hydroxy-3-methoxy benzaldehyde-d3 is not typically used. It may be used in cell culture media as a part of sample preparation for LC-MS/MS analysis to quantify vanillin uptake or metabolism. The compound is added to biological samples at a known concentration to serve as an internal standard.
|
| Animal Protocol |
For in vivo animal studies, 4-Hydroxy-3-methoxy benzaldehyde-d3 is used as an internal standard for the quantification of vanillin in pharmacokinetic and metabolic studies. Blood or tissue samples collected from animals are spiked with a known amount of the deuterated compound. The samples are then processed and analyzed by LC-MS/MS.
|
| ADME/Pharmacokinetics |
4-Hydroxy-3-methoxy benzaldehyde-d3 has a molecular weight of 155.17 g/mol and a molecular formula of C8H5D3O3. It is a deuterium-labeled compound. The compound is soluble in organic solvents. It should be stored at room temperature for short-term use or at -20°C for long-term stability. It is for research use only and is not intended for human consumption.
|
| Toxicity/Toxicokinetics |
The toxicity profile of 4-Hydroxy-3-methoxy benzaldehyde-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 |
4-Hydroxy-3-methoxy benzaldehyde-d3 (Vanillin-d3, CAS 74495-74-2) is the deuterium-labeled form of vanillin, the primary component of vanilla bean extract. It is used as an internal standard for the quantification of vanillin in food, pharmaceutical, and biological samples by GC- or LC-MS. It is available for research purposes only.
|
| Molecular Formula |
C8H5D3O3
|
|---|---|
| Molecular Weight |
155.17
|
| Exact Mass |
155.066
|
| CAS # |
74495-74-2
|
| Related CAS # |
Vanillin;121-33-5
|
| PubChem CID |
10749408
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.213
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
11
|
| Complexity |
135
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([2H])([2H])[2H])C1=C(C([H])=C([H])C(C([H])=O)=C1[H])O[H]
|
| InChi Key |
MWOOGOJBHIARFG-FIBGUPNXSA-N
|
| InChi Code |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3/i1D3
|
| Chemical Name |
4-hydroxy-3-(trideuteriomethoxy)benzaldehyde
|
| 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 | 6.4445 mL | 32.2227 mL | 64.4454 mL | |
| 5 mM | 1.2889 mL | 6.4445 mL | 12.8891 mL | |
| 10 mM | 0.6445 mL | 3.2223 mL | 6.4445 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
