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| Targets |
4-Methylcinnamic acid does not have a well-defined biological target but acts as a cinnamic acid analog that can overcome antifungal tolerance. It increases the potency of cell wall-disrupting agents. As a cinnamic acid derivative, it may interact with fungal cell wall synthesis pathways or other cellular processes. The compound's mechanism may involve modulation of fungal stress responses or enhancement of antifungal drug activity. Further studies are needed to fully elucidate its specific molecular targets and mechanisms of action.
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| ln Vitro |
4-Methylcinnamic acid demonstrates in vitro activity as a cinnamic acid analog that can overcome antifungal tolerance. It increases the potency of cell wall-disrupting agents. The compound's ability to enhance the activity of antifungal agents makes it a valuable tool for studying fungal resistance mechanisms. As a cinnamic acid derivative, it may also possess antioxidant and anti-inflammatory properties. Detailed MIC values and combination studies with antifungal agents are available in the research literature.
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| ln Vivo |
In vivo studies for 4-Methylcinnamic acid have not been extensively documented in the available literature. As a cinnamic acid analog that can overcome antifungal tolerance, the compound has potential for in vivo applications in combination with antifungal therapies. Studies in appropriate animal models of fungal infection would be needed to evaluate its in vivo efficacy and safety profile. The compound increases the potency of cell wall-disrupting agents.
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| Enzyme Assay |
For antifungal activity testing, fungal cultures are grown on appropriate agar media and treated with 4-Methylcinnamic acid alone or in combination with antifungal agents at various concentrations. Minimum inhibitory concentration (MIC) is determined by broth microdilution following CLSI guidelines. For combination studies, checkerboard assays are conducted to determine fractional inhibitory concentration indices (FICI) and assess synergistic, additive, or antagonistic interactions. The ability to overcome antifungal tolerance is assessed by time-kill curve analysis.
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| Cell Assay |
For antifungal activity evaluation, fungal cultures are grown in appropriate liquid media at appropriate temperatures. Fungal spores or cells are seeded in 96-well plates and treated with 4-Methylcinnamic acid at various concentrations (typically 0.1-1000 μg/mL), alone or in combination with antifungal agents. Plates are incubated for 24-48 hours, and fungal growth is assessed by measuring optical density at 600 nm or by colony counting on agar plates. MIC is determined as the lowest concentration that inhibits visible fungal growth. Synergy is assessed by checkerboard assays.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of fungal infection would be used. 4-Methylcinnamic acid would be administered alone or in combination with antifungal agents at various doses. Fungal burden in target organs would be determined by colony counting on selective agar plates at study termination. Survival and body weight would be monitored. However, detailed in vivo protocols for 4-Methylcinnamic acid have not been extensively reported in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 4-Methylcinnamic acid have not been fully characterized in the available literature. The compound has a molecular weight of 162.19 and is a small molecule with moderate water solubility. It has a pKa of 3.98, suggesting it will be predominantly ionized at physiological pH. The compound is stable for up to 24 months at 2-8°C when stored tightly sealed. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are needed.
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| Toxicity/Toxicokinetics |
4-Methylcinnamic acid is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a cinnamic acid analog, it can be used as an intervention catalyst to overcome antifungal tolerance. The compound increases the potency of cell wall-disrupting agents. Standard laboratory safety precautions should be followed when handling this compound. Storage at 2-8°C is recommended.
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| References |
[1]. Kim JH, et, al. Cinnamic Acid Analogs as Intervention Catalysts for Overcoming Antifungal Tolerance. Molecules. 2017 Oct 21;22(10):1783.
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| Additional Infomation |
4-Methylcinnamic acid is a member of the cinnamic acid family.
4-Methylcinnamic acid is a cinnamic acid analog with molecular formula C10H10O2 and molecular weight 162.19. It can be used to overcome antifungal tolerance and increases the potency of cell wall-disrupting agents. The compound has a melting point of 197.0-201.0°C and a pKa of 3.98. It is a research compound for laboratory use only and has not been approved for clinical applications. Storage at 2-8°C is recommended for up to 24 months when tightly sealed. |
| Molecular Formula |
C10H10O2
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|---|---|
| Molecular Weight |
162.19
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| Exact Mass |
162.068
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| CAS # |
1866-39-3
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| PubChem CID |
731767
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
300.6±11.0 °C at 760 mmHg
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| Melting Point |
196-198 °C(lit.)
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| Flash Point |
206.1±10.2 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.603
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| LogP |
2.87
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
176
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O
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| InChi Key |
RURHILYUWQEGOS-VOTSOKGWSA-N
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| InChi Code |
InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
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| Chemical Name |
(E)-3-(4-methylphenyl)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 (616.56 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (15.41 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (15.41 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.1656 mL | 30.8280 mL | 61.6561 mL | |
| 5 mM | 1.2331 mL | 6.1656 mL | 12.3312 mL | |
| 10 mM | 0.6166 mL | 3.0828 mL | 6.1656 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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