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| Other Sizes |
| Targets |
The primary targets of 4-Isopropylbenzoic acid include fungal pathogens and the enzyme tyrosinase. It exhibits antifungal activity against various fungal strains. As a tyrosinase inhibitor, it acts as a reversible and noncompetitive inhibitor of mushroom tyrosinase, an enzyme involved in melanin biosynthesis. The compound does not have a defined receptor target but exerts its effects through direct antimicrobial and enzyme inhibitory mechanisms.
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| ln Vitro |
In vitro, 4-Isopropylbenzoic acid demonstrates antifungal activity against various fungal strains. Antifungal assays have shown that the compound effectively inhibits fungal growth, with the exact MIC values depending on the specific fungal species tested. As a tyrosinase inhibitor, it shows reversible and noncompetitive inhibition of mushroom tyrosinase activity in enzyme assays. The compound's antifungal and enzyme inhibitory activities are concentration-dependent and have been characterized in biochemical studies.
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| ln Vivo |
In vivo activity of 4-Isopropylbenzoic acid has been demonstrated in antifungal efficacy models. The compound, as a natural product extracted from Bridelia retusa, has shown antifungal properties in biological assays. However, detailed in vivo pharmacokinetic and pharmacodynamic studies in animal models are limited. The compound is primarily studied for its antifungal and enzyme inhibitory activities in vitro. Further in vivo studies would be needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 4-Isopropylbenzoic acid typically involve tyrosinase inhibition studies. Mushroom tyrosinase is incubated with varying concentrations of the compound (0-1000 µM) in phosphate buffer (pH 6.8) at 25°C using L-DOPA as substrate. The enzyme activity is measured spectrophotometrically at 475 nm by monitoring the formation of dopachrome. The IC₅₀ value is calculated from the dose-response curve. The compound acts as a reversible and noncompetitive inhibitor, as determined by Lineweaver-Burk plot analysis.
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| Cell Assay |
In vitro cellular assays for 4-Isopropylbenzoic acid involve antifungal susceptibility testing. Fungal strains (e.g., Candida albicans, Aspergillus niger) are cultured in appropriate media and treated with serial dilutions of the compound. The minimum inhibitory concentration (MIC) is determined after 24-48 hours of incubation at 37°C using the broth microdilution method according to CLSI guidelines. Cell viability is assessed by measuring optical density at 600 nm or by colony counting on agar plates. The compound demonstrates concentration-dependent antifungal activity.
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| Animal Protocol |
In vivo animal studies for 4-Isopropylbenzoic acid are limited, as the compound is primarily a natural product with antifungal properties. For antifungal efficacy testing, animal models of fungal infection (e.g., murine candidiasis models) could be used. Animals would be treated with the compound via oral or intraperitoneal administration at various doses, and fungal burden in target organs would be assessed. However, detailed in vivo protocols are not well established for this compound, and most studies have focused on in vitro characterization.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 4-Isopropylbenzoic acid include a molecular weight of 164.20 and a molecular formula of C₁₀H₁₂O₂. It is soluble in DMSO at 100 mg/mL (609.01 mM). For in vivo formulations, solubility in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline has been demonstrated at ≥2.5 mg/mL (15.23 mM). The compound is stable as a powder at -20°C for 3 years and at 4°C for 2 years. In solvent, it is stable at -80°C for 6 months and at -20°C for 1 month.
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| Toxicity/Toxicokinetics |
The toxicity profile of 4-Isopropylbenzoic acid has not been extensively characterized. As a natural product extracted from plant sources, it is generally considered to have low toxicity. Standard toxicity studies would include assessment of acute oral toxicity, dermal irritation, and repeated-dose toxicity in animal models. The compound is intended for research use only and has not been approved for clinical use. Further toxicological studies would be needed to fully establish its safety profile for therapeutic applications.
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| References | |
| Additional Infomation |
p-Fukoxic acid is a type of folate formed by replacing the 4-position of benzoic acid with an isopropyl group. It is a plant metabolite and the conjugate acid of p-fukoxic acid. It has been reported to be present in cumin (Cuminum cyminum), Bridelia retusa, and other organisms with available data. See also: copper dimethyl dithiocarbamate (note moved here).
4-Isopropylbenzoic acid (CAS 536-66-3) has a molecular formula of C₁₀H₁₂O₂ and a molecular weight of 164.20. The compound is an aromatic monoterpene extracted from the stem bark of Bridelia retusa and exhibits antifungal activity. It is also a reversible and noncompetitive inhibitor of mushroom tyrosinase. The compound is intended for research use only and is not approved for clinical use. It is classified as an antifungal agent and is used in antimicrobial research. It is not approved for clinical use. |
| Molecular Formula |
C10H12O2
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|---|---|
| Molecular Weight |
164.20
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| Exact Mass |
164.083
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| CAS # |
536-66-3
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| PubChem CID |
10820
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
271.8±19.0 °C at 760 mmHg
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| Melting Point |
117-120 °C(lit.)
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| Flash Point |
128.1±16.2 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.535
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| LogP |
3.23
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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 |
155
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
CKMXAIVXVKGGFM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
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| Chemical Name |
4-propan-2-ylbenzoic 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 (609.01 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.23 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 (15.23 mM) 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; with ultrasonication. 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 (15.23 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 | 6.0901 mL | 30.4507 mL | 60.9013 mL | |
| 5 mM | 1.2180 mL | 6.0901 mL | 12.1803 mL | |
| 10 mM | 0.6090 mL | 3.0451 mL | 6.0901 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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