| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg | |||
| Other Sizes |
| Targets |
Methyl caffeate has multiple targets and mechanisms of action. It inhibits α-glucosidase, an enzyme involved in carbohydrate digestion, suggesting potential antidiabetic activity. It exhibits antimicrobial and antimycobacterial activity through mechanisms that may involve disruption of microbial cell membranes or inhibition of essential enzymes. It demonstrates antiplatelet activity by inhibiting human platelet aggregation. Its anticancer effects are mediated through antiproliferative and cytotoxic mechanisms, including induction of apoptosis and cell cycle arrest. It also modulates inflammatory signaling pathways.
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| ln Vitro |
In vitro, methyl caffeate demonstrates moderate antibacterial activity and significant antimycobacterial activity. It exhibits α-glucosidase inhibition, oxidative stress inhibition, antiplatelet activity, antiproliferative activity in cervical adenocarcinoma, and anticancer activity in lung and leukemia cell lines. It displays antioxidant, antiproliferative, and cytotoxic properties. It also shows a strong inhibitory effect on human platelet aggregation. Its anti-inflammatory effects are mediated by modulation of key signaling pathways involved in the inflammatory response.
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| ln Vivo |
In vivo, methyl caffeate has demonstrated various pharmacological effects, though specific in vivo studies are less extensively documented compared to in vitro data. Its anti-inflammatory and antidiabetic properties are among the most studied. As an antioxidant, it may protect against oxidative stress-related diseases. Its anticancer effects observed in vitro suggest potential in vivo activity, though further studies are needed. The compound has shown protective effects in models of inflammation and metabolic disease. Its bioavailability and metabolism influence its in vivo efficacy.
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| Enzyme Assay |
In vitro enzyme/receptor binding studies for methyl caffeate typically involve α-glucosidase inhibition assays. Standard protocols use α-glucosidase enzyme (e.g., from Saccharomyces cerevisiae or rat intestine) incubated with a substrate such as p-nitrophenyl-α-D-glucopyranoside in the presence of increasing concentrations of methyl caffeate. Enzyme activity is measured spectrophotometrically by monitoring the release of p-nitrophenol at 405 nm, and IC50 values are calculated. Similar assays may be used for other enzymes such as α-amylase or lipases.
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| Cell Assay |
In vitro cellular assays for methyl caffeate involve culturing cancer cell lines (e.g., cervical adenocarcinoma, lung cancer, leukemia) or other target cells in the presence of serial dilutions of the compound. Cell viability is assessed using MTT, CellTiter-Glo, or trypan blue exclusion assays. Antiproliferative effects are measured by cell counting or colony formation assays. Apoptosis is quantified by flow cytometry with Annexin V/PI staining or by measuring caspase-3/7 activity. Antiplatelet activity is assessed using platelet aggregation assays with human platelets stimulated with agonists such as ADP or collagen.
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| Animal Protocol |
In vivo animal studies for methyl caffeate could include models of diabetes (e.g., streptozotocin-induced diabetes in rodents) to assess α-glucosidase inhibition and glucose-lowering effects. Anti-inflammatory activity could be evaluated in carrageenan-induced paw edema or colitis models. Anticancer activity could be assessed in xenograft models using cancer cell lines. However, detailed published in vivo studies specifically on methyl caffeate are limited. Its natural occurrence and safety profile support further investigation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of methyl caffeate are not extensively documented. As a small polyphenolic compound with a molecular weight of 194.18 g/mol, it is expected to be well-absorbed orally, though bioavailability may be influenced by metabolism. It is likely metabolized by esterases to caffeic acid and methanol, and by conjugation reactions. Caffeic acid is a well-studied polyphenol with known antioxidant properties. The compound’s pharmacokinetics would be influenced by its ester structure and polyphenolic nature.
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| Toxicity/Toxicokinetics |
Toxicological data for methyl caffeate suggest that it is relatively safe, as it is a naturally occurring compound found in edible plants. It has been used in traditional medicine and is considered to have low toxicity. However, high doses may cause adverse effects, and as with any bioactive compound, safety depends on dose and duration of exposure. Standard toxicological studies would be required for drug development. Its use as a dietary polyphenol suggests a favorable safety profile.
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| References | |
| Additional Infomation |
Methyl caffeate is an alkyl caffeic acid ester formed by the condensation of caffeic acid and methanol. It is both an alkyl caffeic acid ester and a methyl ester. Methyl caffeate has been reported to exist in black cohosh (Meum athamanticum), Hypericum ascyron, and other organisms with relevant data. See also: Black cohosh (partial).
Methyl caffeate is a naturally occurring compound with diverse biological activities. It is found in various plants and is a component of traditional herbal medicines. Its antimicrobial, antidiabetic, anti-inflammatory, and anticancer properties make it a compound of interest for drug discovery and development. It is available as a research chemical for studying its pharmacological effects. Its natural occurrence and broad bioactivity profile support ongoing research into its therapeutic potential. |
| Molecular Formula |
C10H10O4
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|---|---|
| Molecular Weight |
194.18
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| Exact Mass |
194.058
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| CAS # |
3843-74-1
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| PubChem CID |
689075
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| Appearance |
White to off-white solid powder
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| Density |
1.318 g/cm3
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| Boiling Point |
367.6ºC at 760 mmHg
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| Melting Point |
158-161°C
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| Flash Point |
80 °C
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| Index of Refraction |
1.628
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| LogP |
1.284
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
14
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| Complexity |
224
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC(=O)/C=C/C1=CC(=C(C=C1)O)O
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| InChi Key |
OCNYGKNIVPVPPX-HWKANZROSA-N
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| InChi Code |
InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
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| Chemical Name |
methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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| Synonyms |
Methyl caffeate; Caffeic acid, methyl ester
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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 : ~33.33 mg/mL (~171.64 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (12.87 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 (12.87 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 (12.87 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 | 5.1499 mL | 25.7493 mL | 51.4986 mL | |
| 5 mM | 1.0300 mL | 5.1499 mL | 10.2997 mL | |
| 10 mM | 0.5150 mL | 2.5749 mL | 5.1499 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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