| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Tumor necrosis factor-alpha (TNF-α) pathway (inhibitor) [1]
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|---|---|
| ln Vitro |
In the murine macrophage cell line RAW 264.7 stimulated with lipopolysaccharide (LPS, 1 µg/mL), 1,4-Dicaffeoylquinic acid (at concentrations of 6.25, 12.5, 25, and 50 µM) significantly inhibited the production of TNF-α in a dose-dependent manner. [1]
The inhibitory effect on TNF-α production was statistically significant (P < 0.01 compared to LPS-treated cells). [1] 1,4-Dicaffeoylquinic acid did not show a significant inhibitory effect on LPS-stimulated interleukin-6 (IL-6) production in RAW 264.7 cells at the tested concentrations. [1] |
| Cell Assay |
Cytotoxicity Assay: The cytotoxicity of 1,4-Dicaffeoylquinic acid was evaluated in RAW 264.7 cells using a Cell Counting Kit-8 (CCK-8) assay. Cells were seeded in 96-well plates and treated with various concentrations (0, 6.25, 12.5, 25, 50, or 100 µM) of the compound for 24 hours. CCK-8 solution was then added, and cells were incubated for an additional 4 hours. Absorbance was measured at 450 nm using a microplate reader. Cell viability was calculated as a percentage relative to untreated controls. No significant cytotoxicity was observed at concentrations up to 50 µM. [1]
Cytokine and Prostaglandin Measurement Assay: RAW 264.7 cells were plated in 24-well plates at a density of 2.4 x 10⁴ cells per well and incubated for 24 hours. Cells were pre-treated with various concentrations (6.25, 12.5, 25, 50 µM) of 1,4-Dicaffeoylquinic acid for 4 hours prior to stimulation with LPS (1 µg/mL). After an additional 20 hours of incubation, cell culture supernatants were collected. The concentrations of TNF-α, IL-6, and PGE₂ in the supernatants were measured using specific enzyme-linked immunosorbent assay (ELISA) kits according to the manufacturers' instructions. [1] |
| Toxicity/Toxicokinetics |
In cytotoxicity assays using RAW 264.7 cells, concentrations up to 50 µM of 1,4-dicaffeoylquinic acid showed no significant cytotoxicity after 24 hours of treatment. A significant decrease in cell viability was observed at 100 µM. [1]
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| References | |
| Additional Infomation |
1,4-Dicaffeoylquinic acid has been reported to be present in Echinacea angustifolia, Artemisia carvifolia, and other organisms with relevant data. 1,4-Dicaffeoylquinic acid is one of nine phenylpropanoid marker compounds identified in the 70% ethanol extract of Xanthii Fructus (the fruit of Xanthium strumarium L.). [1] In the Xanthii Fructus extract samples analyzed, the concentration of 1,4-Dicaffeoylquinic acid was determined to be 1.20 mg/g (mean, relative standard deviation 1.43%). [1] This study suggests that different marker compounds in Xanthii Fructus, including 1,4-Dicaffeoylquinic acid, exert anti-inflammatory activity by targeting different inflammation-related pathways, such as the TNF-α pathway. [1]
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| Molecular Formula |
C25H24O12
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|---|---|
| Molecular Weight |
516.4509
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| Exact Mass |
516.126
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| CAS # |
1182-34-9
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| PubChem CID |
5316647
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| Appearance |
White to off-white solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
819.9±65.0 °C at 760 mmHg
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| Melting Point |
225-227ºC
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| Flash Point |
278.1±27.8 °C
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| Vapour Pressure |
0.0±3.1 mmHg at 25°C
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| Index of Refraction |
1.719
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| LogP |
1.99
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| Hydrogen Bond Donor Count |
7
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
873
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C(C(C(CC1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
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| InChi Key |
IYXQRCXQQWUFQV-FCXRPNKRSA-N
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| InChi Code |
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+
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| Chemical Name |
1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-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 (~193.63 mM)
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|---|---|
| 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) 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 (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.
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