| Size | Price | Stock | Qty |
|---|---|---|---|
| 10g |
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| Other Sizes |
| Targets |
The compound does not have a well-defined specific target. It exhibits antifungal activity against Cladosporium cladosporioides and C. sphaerospermum. It may have anti-inflammatory and cytotoxic activities. It is an endogenous metabolite.
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|---|---|
| ln Vitro |
In cell-free systems, its antifungal activity is assessed by its ability to inhibit the growth of fungi. This is typically done using agar diffusion or broth dilution methods. Its anti-inflammatory activity can be assessed in cell-free enzyme assays. 3-(3,4,5-Trimethoxyphenyl)propanoic acid exhibits antifungal activity in vitro. It has potential anti-inflammatory and cytotoxic activities. It influences various cellular processes and functions. It is being explored as a lead molecule for new drugs.
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| ln Vivo |
In vivo studies for this compound are not common. Its antifungal activity has been demonstrated in vitro, but in vivo efficacy data are not well-documented. Its safety and efficacy as a therapeutic agent require further investigation.
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| Enzyme Assay |
Antifungal activity is assessed using standardized susceptibility testing methods. The compound is tested against fungal strains, such as Cladosporium spp., using agar diffusion or broth microdilution methods. The minimum inhibitory concentration (MIC) is determined.
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| Cell Assay |
Cell-based assays are used to evaluate its anti-inflammatory and cytotoxic activities. Cells are treated with the compound, and cytokine production is measured to assess anti-inflammatory effects. Cytotoxicity is measured using cell viability assays.
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| Animal Protocol |
In vivo studies are limited. If conducted, animal models of inflammation or fungal infection would be used. The compound would be administered, and its efficacy in reducing inflammation or fungal burden would be assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound are not well-characterized. As a natural product, its oral bioavailability and metabolic stability are unknown. Further research is needed to determine its ADME profile.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound is limited. It is generally considered safe for research use. Its safety profile requires further investigation, especially if it is to be developed as a therapeutic agent.
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| Additional Infomation |
3,4,5-Trimethoxydihydrocinnamic acid is a monocarboxylic acid composed of propionic acid with a 3,4,5-trimethoxyphenyl substituent attached at the 3-position. Functionally, it is related to propionic acid. It is the conjugate acid of 3,4,5-trimethoxydihydrocinnamic acid ester. 3-(3,4,5-trimethoxyphenyl)propionic acid has been reported and data are available for its detection in Piper crassinervium, Piper longum, and Piper retrofractum.
This compound is a natural product with potential research applications. It is a valuable tool for studying antifungal and anti-inflammatory mechanisms. It is not an approved drug and is for research use only. |
| Molecular Formula |
C12H16O5
|
|---|---|
| Molecular Weight |
240.2524
|
| Exact Mass |
240.1
|
| CAS # |
25173-72-2
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| PubChem CID |
64860
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| Appearance |
White to light yellow solid powder
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| Density |
1.169 g/cm3
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| Boiling Point |
373.3ºC at 760 mmHg
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| Melting Point |
100-104 °C(lit.)
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| Flash Point |
139.9ºC
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| Vapour Pressure |
3.1E-06mmHg at 25°C
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| LogP |
1.729
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
17
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| Complexity |
229
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
ZCYXGVJUZBKJAI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
|
| Chemical Name |
3-(3,4,5-trimethoxyphenyl)propanoic 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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~25 mg/mL (~104.06 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.43 mg/mL (5.95 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 14.3 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: ≥ 1.43 mg/mL (5.95 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), suspension solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.3 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: ≥ 1.43 mg/mL (5.95 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 | 4.1623 mL | 20.8117 mL | 41.6233 mL | |
| 5 mM | 0.8325 mL | 4.1623 mL | 8.3247 mL | |
| 10 mM | 0.4162 mL | 2.0812 mL | 4.1623 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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