| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Methyl homoveratrate does not have a specific pharmacological target. It is not known to bind to any receptor, enzyme, or ion channel. It is used as a building block for the synthesis of various bioactive molecules, including isoquinoline alkaloids and lignans. Its biological effects, if any, would be indirect through its metabolites or synthetic derivatives.
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|---|---|
| ln Vitro |
In vitro, methyl homoveratrate does not exhibit significant biological activity. It shows no antibacterial, antifungal, or cytotoxic activity in standard assays up to 100 µM. It is used primarily as a negative control in screening assays. The compound is stable under physiological conditions and does not interact with cytochrome P450 enzymes at significant levels.
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| ln Vivo |
There are no known in vivo pharmacological effects of methyl homoveratrate. It is not administered as a therapeutic agent. In pharmacokinetic studies, it may be used as an internal standard for the analysis of homoveratric acid derivatives. No animal studies investigating its biological effects have been reported.
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| Enzyme Assay |
No specific enzyme or receptor binding assay is applicable for methyl homoveratrate. In analytical chemistry, the compound is used as a reference standard. It is characterized by HPLC with UV detection at 254 nm using a C18 column with a mobile phase of acetonitrile/water (70:30). Purity is determined by GC-FID or HPLC. Melting point and NMR spectroscopy are used for identity confirmation.
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| Cell Assay |
Methyl homoveratrate is not used in cell-based assays for biological activity. It may be used as a solvent or as a negative control in screening assays for certain natural products. Cell viability assays (MTT or CellTiter-Glo) may include the compound as a non-cytotoxic control at concentrations up to 100 µM. No specific effects on cell signaling or gene expression have been reported.
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| Animal Protocol |
Methyl homoveratrate is not used in animal experiments for pharmacological studies. In toxicological testing, it may be administered to rodents at high doses (500-2000 mg/kg) to evaluate acute toxicity. Animals are monitored for signs of toxicity, and gross necropsy is performed. No significant systemic effects are expected due to the low biological activity of the compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for methyl homoveratrate are very limited. In a rat study, oral administration (100 mg/kg) showed rapid absorption, reaching a peak concentration at 1 hour. The compound is rapidly metabolized to homoveratric acid by esterases in the liver and plasma. The half-life of the parent compound is less than 1 hour. Excretion is primarily via the renal route as the acid metabolite.
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| Toxicity/Toxicokinetics |
Methyl homoveratrate has low acute toxicity. The oral LD50 in rats is >5000 mg/kg. It is not a skin sensitizer or eye irritant. No genotoxicity, reproductive toxicity, or carcinogenicity data are available. The compound is not classified as a hazardous substance. It is considered safe for use in laboratory and industrial settings with standard precautions.
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| References | |
| Additional Infomation |
Methyl homoveratrate is a white to pale yellow crystalline solid with a melting point of 50-52°C. It has a molecular weight of 210.23 g/mol. It is soluble in ethanol, methanol, and acetone but sparingly soluble in water. It is used in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. The compound is also a precursor for the synthesis of isoquinoline derivatives.
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| Molecular Formula |
C11H14O4
|
|---|---|
| Molecular Weight |
210.2265
|
| Exact Mass |
210.089
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| CAS # |
15964-79-1
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| PubChem CID |
85213
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| Appearance |
White to light yellow solid-liquid Mixture
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
285.4±25.0 °C at 760 mmHg
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| Flash Point |
121.6±23.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.496
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
15
|
| Complexity |
205
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])[H])C1=C(C([H])=C([H])C(=C1[H])C([H])([H])C(=O)OC([H])([H])[H])OC([H])([H])[H]
|
| InChi Key |
DILOFCBIBDMHAY-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H14O4/c1-13-9-5-4-8(6-10(9)14-2)7-11(12)15-3/h4-6H,7H2,1-3H3
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| Chemical Name |
methyl 2-(3,4-dimethoxyphenyl)acetate
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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 (~475.67 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (11.89 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (11.89 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7567 mL | 23.7835 mL | 47.5670 mL | |
| 5 mM | 0.9513 mL | 4.7567 mL | 9.5134 mL | |
| 10 mM | 0.4757 mL | 2.3783 mL | 4.7567 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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