| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
| Targets |
This compound does not have a primary pharmacological target. It is a metabolic intermediate and a precursor in the synthesis of various pharmaceuticals, including the vasodilator papaverine.
|
|---|---|
| ln Vitro |
In vitro, 3,4-Dimethoxyphenylacetic acid is used as a chemical intermediate and reference standard. It does not exhibit significant pharmacological activity on its own.
|
| ln Vivo |
In vivo, this compound is a metabolite detected in human urine. It is formed from the metabolism of dietary compounds or xenobiotics. It is not administered as a therapeutic agent.
|
| Enzyme Assay |
Not applicable; this compound is not used in receptor binding or enzyme activity assays as a test agent. It serves as a reference standard in analytical chemistry.
|
| Cell Assay |
Not applicable; this compound is not used as a treatment in cell culture experiments. It is used as an analytical standard or chemical intermediate.
|
| Animal Protocol |
Not applicable; this compound is not administered to animals as a therapeutic agent. It is measured in biological samples as a metabolite in pharmacokinetic or metabolomics studies.
|
| ADME/Pharmacokinetics |
3,4-Dimethoxyphenylacetic acid is a metabolite that is excreted in urine. Its pharmacokinetics are determined by the clearance of its parent compounds. It has no therapeutic PK profile.
|
| Toxicity/Toxicokinetics |
This compound is considered non-toxic as it is a normal human metabolite. No significant toxicity has been reported. It is classified as a human urinary metabolite and xenobiotic metabolite.
|
| References | |
| Additional Infomation |
Homovalic acid is a phenylacetic acid with methoxy groups substituted at the 3 and 4 positions. It is a human urinary metabolite and an exogenous metabolite. It is a dimethoxybenzene and belongs to the phenylacetic acid class of compounds. Homovalic acid has been reported in ginger (Zingiber officinale) and olive (Olea europaea), and relevant data are available. See also: 2,3-Dimethoxyphenylacetic acid (note moved here).
3,4-Dimethoxyphenylacetic acid is a research chemical and pharmaceutical intermediate. It is used in the synthesis of cardiovascular drugs such as papaverine and has no therapeutic approval status. |
| Molecular Formula |
C10H12O4
|
|---|---|
| Molecular Weight |
196.1999
|
| Exact Mass |
196.073
|
| CAS # |
93-40-3
|
| Related CAS # |
3,4-Dimethoxyphenylacetic acid-d2;19031-58-4
|
| PubChem CID |
7139
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
331.4±27.0 °C at 760 mmHg
|
| Melting Point |
96-98 °C(lit.)
|
| Flash Point |
130.2±17.2 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.527
|
| LogP |
1.24
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
14
|
| Complexity |
193
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
WUAXWQRULBZETB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
|
| Chemical Name |
2-(3,4-dimethoxyphenyl)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) |
H2O : ~3.33 mg/mL (~16.97 mM)
|
|---|---|
| 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 | 5.0968 mL | 25.4842 mL | 50.9684 mL | |
| 5 mM | 1.0194 mL | 5.0968 mL | 10.1937 mL | |
| 10 mM | 0.5097 mL | 2.5484 mL | 5.0968 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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