| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
3,4-Dicaffeoylquinic acid targets acetylcholinesterase (ACE) and α-glucosidase. The compound inhibits these enzymes in a concentration-dependent manner at 1-500 μg/ml. It also reduces mutagenicity and has antiviral activity against respiratory syncytial virus (RSV). The compound acts as a primary antioxidant with ferric reducing activity and β-carotene bleaching activity.
|
|---|---|
| ln Vitro |
3,4-dicaffeoylquinic acid exhibits better iron reduction activity (EC50 2.18 μg/ml), β-carotene bleaching activity (EC50 23.85 μg/ml) and DPPH scavenging activity (EC50 68.91) than its methanolic extract. ), is a stronger main antioxidant. microgram/ml). 3,4-Dicaffeoylquinic acid demonstrates substantial dose-dependent inhibitory effects on NCI-H23 (human lung adenocarcinoma) cell line (EC50 3.26 μg/ml) and its nature is identified based on unambiguous signal of DNA fragmentation It has apoptotic effect on cells. 3,4-dicaffeoylquinic acid similarly demonstrates concentration-dependent α-glucosidase inhibition with an EC50 of 241.80 μg/ml[1].
In vitro, 3,4-dicaffeoylquinic acid (1-500 μg/ml) inhibits acetylcholinesterase and α-glucosidase in a concentration-dependent manner. It reduces the mutagenicity of Trp-P-1 against S. typhimurium. The compound has higher ferric reducing activity (EC₅₀ 2.18 µg/ml) and β-carotene bleaching activity (EC₅₀ 23.85 µg/ml) than its methanol extract. It also exhibits antiviral activity against respiratory syncytial virus. |
| ln Vivo |
In vivo activity of 3,4-dicaffeoylquinic acid has not been extensively characterized in animal models. The compound is a natural polyphenol with potential health benefits, including neuroprotective and hepatoprotective effects. However, specific in vivo efficacy studies have not been detailed in the available literature. The compound is primarily studied in vitro for its antioxidant and enzyme inhibitory activities.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3,4-dicaffeoylquinic acid typically involve studying its inhibition of acetylcholinesterase and α-glucosidase. The compound is incubated with the enzyme and a suitable substrate in assay buffer. Enzyme activity is measured by monitoring the production of a chromogenic or fluorogenic product. IC₅₀ values are determined from concentration-response curves. Antioxidant activity is assessed using ferric reducing power and β-carotene bleaching assays.
|
| Cell Assay |
In vitro cell-based assays for 3,4-dicaffeoylquinic acid typically employ various cell lines to assess its biological activities. Cells are cultured and treated with the compound at various concentrations (1-500 μg/ml). Endpoints include assessment of cell viability, oxidative stress markers, DNA damage protection, and neuroprotection. Antiviral activity is assessed using virus-infected cell cultures.
|
| Animal Protocol |
In vivo animal studies with 3,4-dicaffeoylquinic acid have not been extensively reported. The compound is a natural product primarily studied in vitro. Future studies may involve administration of the compound in rodent models to evaluate its neuroprotective, hepatoprotective, or antiviral effects in vivo. Currently, no specific in vivo data are available.
|
| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of 3,4-dicaffeoylquinic acid have not been characterized. As a polyphenolic compound with a molecular weight of 516.45, it may have limited oral bioavailability due to extensive metabolism in the gastrointestinal tract and liver. However, specific PK parameters have not been determined. The compound is soluble in DMF (71 mg/ml), DMSO (50 mg/ml), ethanol (50 mg/ml), and PBS (pH 7.2, 25 mg/ml).
|
| Toxicity/Toxicokinetics |
The toxicity profile of 3,4-dicaffeoylquinic acid has not been extensively characterized. As a naturally occurring polyphenol found in common foods, it is generally considered safe at dietary levels. No specific toxicology data are available in the provided literature. The compound is intended for research use only and is not approved for human therapeutic applications.
|
| References |
|
| Additional Infomation |
Isochlorogenic acid b is a quinic acid. 3,4-Dicaffeoylquinic acid has been reported in Crassocephalum crepidioides, Gelasia latifolia, and other organisms with relevant data. See also: honeysuckle (partial); stevia (partial); 3,4-Dicaffeoylquinic acid (note moved here).
3,4-Dicaffeoylquinic acid is a research-grade natural polyphenol with diverse biological activities including antioxidant, neuroprotective, hepatoprotective, and antiviral properties. It is not an approved therapeutic drug and has no clinical trial history. The compound is supplied as a crystalline solid with purity ≥98% and should be stored at -20°C. Synonyms include 3,4-DCQA and Isochlorogenic acid B. |
| Molecular Formula |
C25H24O12
|
|---|---|
| Molecular Weight |
516.4509
|
| Exact Mass |
516.126
|
| CAS # |
14534-61-3
|
| PubChem CID |
5281780
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
820.8±65.0 °C at 760 mmHg
|
| Melting Point |
234 - 238 °C
|
| Flash Point |
278.5±27.8 °C
|
| Vapour Pressure |
0.0±3.1 mmHg at 25°C
|
| Index of Refraction |
1.719
|
| LogP |
0.72
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
12
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
37
|
| Complexity |
887
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
|
| InChi Key |
UFCLZKMFXSILNL-PSEXTPKNSA-N
|
| InChi Code |
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
|
| Chemical Name |
(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~96.81 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.84 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 (4.84 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 (4.84 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 | 1.9363 mL | 9.6815 mL | 19.3630 mL | |
| 5 mM | 0.3873 mL | 1.9363 mL | 3.8726 mL | |
| 10 mM | 0.1936 mL | 0.9681 mL | 1.9363 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
