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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
5-Feruloylquinic acid targets tyrosinase, the key enzyme in melanin biosynthesis. It inhibits tyrosinase activity. The compound also targets reactive oxygen species (ROS) through its antioxidant properties. It scavenges DPPH and superoxide anion radicals. Its anticancer activity suggests additional targets involved in cancer cell proliferation and survival.
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| ln Vitro |
5-Feruloylquinic acid demonstrates potent in vitro tyrosinase inhibitory activity. It has significant antioxidant activity, scavenging DPPH and superoxide anion radicals with IC50 values of approximately 9 µM and 36 µM, respectively. The compound also exhibits anticancer activity against lymphoma, oral epidermal cancer, and breast cancer.
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| ln Vivo |
In vivo activity data for 5-Feruloylquinic acid are not extensively documented. Its antioxidant and tyrosinase inhibitory activities suggest potential in vivo efficacy for skin lightening and protection against oxidative stress. Its anticancer activity suggests potential in vivo efficacy in cancer models. Further in vivo studies are needed to fully characterize its therapeutic potential.
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| Enzyme Assay |
The in vitro enzyme assay for 5-Feruloylquinic acid involves measuring its inhibition of tyrosinase activity. Mushroom tyrosinase is commonly used as a model enzyme. The assay typically uses L-DOPA as a substrate, and the formation of dopachrome is monitored spectrophotometrically at 475 nm. 5-Feruloylquinic acid is incubated with the enzyme and substrate at various concentrations. The IC50 value is determined by fitting the inhibition data to a dose-response curve.
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| Cell Assay |
In vitro cellular assays for 5-Feruloylquinic acid typically use cancer cell lines to assess its anticancer activity. Cells are treated with the compound at various concentrations. Cell viability is measured using standard assays such as MTT or CellTiter-Glo. The compound's ability to inhibit cell proliferation is quantified. Additionally, antioxidant activity can be assessed in cell-based ROS assays.
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| Animal Protocol |
In vivo animal experiments for 5-Feruloylquinic acid are not extensively documented. As a compound with anticancer activity, standard in vivo efficacy studies would involve mouse xenograft models of lymphoma, oral epidermal cancer, or breast cancer. Tumor-bearing mice would be administered 5-Feruloylquinic acid via oral or parenteral routes. Tumor growth would be monitored.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 5-Feruloylquinic acid are not extensively documented. As a natural chlorogenic acid derivative with a molecular weight of 368.34, the compound is expected to have moderate bioavailability. Its antioxidant and tyrosinase inhibitory activities contribute to its overall pharmacological profile. Further pharmacokinetic studies are necessary to fully characterize its absorption, distribution, metabolism, and excretion.
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| Toxicity/Toxicokinetics |
Toxicological data for 5-Feruloylquinic acid are not extensively available. As a naturally occurring compound found in green coffee beans, it is generally considered safe. Standard cytotoxicity assays in cell lines may have been performed to assess safety margins. Further toxicological studies would be required for clinical development.
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| References | |
| Additional Infomation |
3-Feruloylquinic acid is a type of quinic acid. It has been reported to be found in blueberries, artemisia, and other organisms with relevant data.
5-Feruloylquinic acid (5-FQA) is a chlorogenic acid derivative found in green coffee beans with antioxidative and tyrosinase inhibitory activities. It has anticancer activity against lymphoma, oral epidermal cancer, and breast cancer. The compound scavenges DPPH and superoxide anion radicals. No clinical trials or regulatory approvals have been reported. |
| Molecular Formula |
C17H20O9
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|---|---|
| Molecular Weight |
368.34
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| Exact Mass |
368.111
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| CAS # |
40242-06-6
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| PubChem CID |
10133609
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| Appearance |
White to off-white solid powder
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| LogP |
-0.1
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
26
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| Complexity |
548
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| Defined Atom Stereocenter Count |
4
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| SMILES |
COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O
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| InChi Key |
RAGZUCNPTLULOL-KQJPBSFVSA-N
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| InChi Code |
InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1
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| Chemical Name |
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (271.49 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7149 mL | 13.5744 mL | 27.1488 mL | |
| 5 mM | 0.5430 mL | 2.7149 mL | 5.4298 mL | |
| 10 mM | 0.2715 mL | 1.3574 mL | 2.7149 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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