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| Targets |
3,4,5-Trimethoxycinnamic acid is a chemical intermediate and does not have a specific pharmacological target. Its primary use is in organic synthesis. It has been detected to inhibit lipid peroxidation in rat brain homogenates, indicating antioxidant activity. Its antioxidant properties are likely due to the presence of the methoxy groups.
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| ln Vitro |
3,4,5-Trimethoxycinnamic acid (10 μg/mL) enhances the expression of the γ-subunits that GAD65 and GABAA receive, but has no impact on the quantities of the α- and β-subunits [2].
In vitro, 3,4,5-Trimethoxycinnamic acid demonstrates antioxidant activity. It inhibits lipid peroxidation in rat brain homogenates. Its antioxidant activity is likely due to its ability to scavenge free radicals. It is not typically used in cell-based assays as a bioactive compound, but rather as a chemical intermediate. |
| ln Vivo |
The sedative action of 3,4,5-trimethoxycinnamic acid (25–100 mg/kg, ip) can extend the duration of sleep [1]. The exercise ability of individuals was dramatically lowered by 10, mg/kg of 3,4,5-trimethoxycinnamic acid [2].
In vivo, 3,4,5-Trimethoxycinnamic acid is not used as a therapeutic agent. Its primary application is as a chemical intermediate in the synthesis of pharmaceuticals and other compounds. Any in vivo activity would be related to the drugs synthesized from it, such as cinepazide, a vasodilator. |
| Enzyme Assay |
The in vitro antioxidant assay for 3,4,5-Trimethoxycinnamic acid involves measuring its ability to inhibit lipid peroxidation. Rat brain homogenates are incubated with the compound and a lipid peroxidation inducer, such as Fe2+ or ascorbate. The production of malondialdehyde (MDA), a marker of lipid peroxidation, is measured using the thiobarbituric acid reactive substances (TBARS) assay.
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| Cell Assay |
In vitro cell culture studies are not typically performed with 3,4,5-Trimethoxycinnamic acid, as it is a chemical intermediate. However, its antioxidant activity could be studied in cell-based models of oxidative stress. Its effects on cell viability and ROS production could be assessed.
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| Animal Protocol |
In vivo animal experiments for 3,4,5-Trimethoxycinnamic acid are not common. However, its antioxidant activity could be studied in animal models of oxidative stress. The compound would be administered, and markers of oxidative stress in tissues would be measured.
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| ADME/Pharmacokinetics |
3,4,5-Trimethoxycinnamic acid has a molecular formula of C12H14O5 and a molecular weight of 238.24 g/mol. It is a white to cream fine crystalline powder. It is soluble in organic solvents like DMSO and ethanol. It is typically stored at 2-8°C for long-term stability. Its stability is maintained under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Toxicological data for 3,4,5-Trimethoxycinnamic acid are limited, as it is a chemical intermediate. It may be a skin and eye irritant. As a research compound, it is not intended for human therapeutic use, and comprehensive toxicity studies are not available. Standard safety precautions should be followed.
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| References |
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| Additional Infomation |
3,4,5-Trimethoxycinnamic acid is a methoxycinnamic acid in which the 3, 4, and 5 positions are each replaced by three methoxy groups. It is an allergen. It is the conjugate acid of 3,4,5-trimethoxycinnamic acid ester. It has been reported to be found in Polygala tenuifolia, Piper swartzianum, and Piper tuberculatum, and relevant data are available.
3,4,5-Trimethoxycinnamic acid is a research compound with no clinical approval. It is used as a building block in the synthesis of pharmaceuticals, such as the vasodilator cinepazide. It is also used in the production of adhesives and coatings to improve adhesion. Its antioxidant properties make it a compound of interest for research into oxidative stress. |
| Molecular Formula |
C12H14O5
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| Molecular Weight |
238.2366
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| Exact Mass |
238.084
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| CAS # |
90-50-6
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| PubChem CID |
735755
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
396.4±37.0 °C at 760 mmHg
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| Melting Point |
126 - 128 °C
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| Flash Point |
151.5±20.0 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.560
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| LogP |
2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
17
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| Complexity |
262
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O
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| InChi Key |
YTFVRYKNXDADBI-SNAWJCMRSA-N
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| InChi Code |
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
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| Chemical Name |
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic 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) |
DMSO : ~100 mg/mL (~419.74 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.49 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 (10.49 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 (10.49 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 | 4.1974 mL | 20.9872 mL | 41.9745 mL | |
| 5 mM | 0.8395 mL | 4.1974 mL | 8.3949 mL | |
| 10 mM | 0.4197 mL | 2.0987 mL | 4.1974 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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