| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 100mg | |||
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| Targets |
Farnesoid X receptor (FXR) and pregnane X receptor (PXR). Cafestol acts as an agonist ligand for both FXR and PXR, and this may contribute to its impact on cholesterol homeostasis. It induces glutathione S-transferase and has chemoprotective activity. Cafestol also inhibits cyclic-strain-induced interleukin-8, intercellular adhesion molecule-1, and monocyte chemoattractant protein-1 production in vascular endothelial cells.
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| ln Vitro |
Cafestol acts as an agonist ligand for FXR and PXR, contributing to its impact on cholesterol homeostasis. It induces glutathione S-transferase and has chemoprotective activity, reducing the genotoxicity of several carcinogens. Cafestol has anticarcinogenic, peripheral antinociceptive, and anti-inflammatory activities. It inhibits cyclic-strain-induced interleukin-8, ICAM-1, and MCP-1 production in vascular endothelial cells.
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| ln Vivo |
Cafestol is a potent modulator of cholesterol metabolism and has been studied for its potential therapeutic effects. It has anticarcinogenic, peripheral antinociceptive, and anti-inflammatory activities. The compound induces glutathione S-transferase and has chemoprotective activity. It inhibits cyclic-strain-induced inflammatory cytokine production in vascular endothelial cells.
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| Enzyme Assay |
In vitro enzyme assays for cafestol involve measuring its effects on glutathione S-transferase activity or its binding to FXR and PXR. Glutathione S-transferase activity is measured using CDNB as a substrate. FXR and PXR binding is assessed using reporter gene assays or ligand-binding assays. Cafestol acts as an agonist ligand for both FXR and PXR.
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| Cell Assay |
In vitro cellular assays for cafestol involve treating cells (such as vascular endothelial cells or cancer cells) with the compound and measuring inflammatory cytokine production, cell viability, or gene expression. Cafestol inhibits cyclic-strain-induced interleukin-8, ICAM-1, and MCP-1 production in vascular endothelial cells. The compound has anticarcinogenic activity.
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| Animal Protocol |
In vivo animal studies for cafestol typically involve administration to rodent models to assess its chemoprotective, anti-inflammatory, or anticarcinogenic effects. Cafestol induces glutathione S-transferase and reduces the genotoxicity of several carcinogens. Further studies are needed to fully characterize its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic studies of cafestol show that the compound is a diterpene with a molecular weight of 316.44 and a molecular formula of C20H28O3. It is obtained from the unsaponifiable fraction of coffee oil. Cafestol is known for its ability to raise serum cholesterol levels by influencing cholesterol metabolism.
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| Toxicity/Toxicokinetics |
Preclinical toxicity studies of cafestol have shown that the compound has chemoprotective activity, reducing the genotoxicity of several carcinogens. However, cafestol is also known for its cholesterol-raising effects. The compound should be used with caution. Comprehensive toxicological evaluation is needed to support therapeutic development.
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| References | |
| Additional Infomation |
Cafestol is an organic heteropentacyclic compound belonging to the furan diterpenoid class, with the molecular formula C20H28O3. It is extracted from the unsaponifiable fraction of coffee oil (coffee oil is the lipid fraction obtained from coffee beans through organic solvent extraction). It possesses various functions, including being a plant metabolite, an apoptosis inducer, a hypoglycemic agent, an angiogenesis inhibitor, an antitumor agent, an antioxidant, and an anti-inflammatory agent. Cafestol is an organic heteropentacyclic compound belonging to the tertiary alcohol, diterpenoid, furan, and primary alcohol classes. It has been reported to exist in the coffee tree (Coffea congensis), Diplospora dubia, and other organisms with relevant data.
Cafestol is a diterpene compound found in coffee beans with anticarcinogenic, peripheral antinociceptive, and anti-inflammatory activities. It acts as an agonist ligand for FXR and PXR, contributing to its impact on cholesterol homeostasis. Cafestol induces glutathione S-transferase and has chemoprotective activity, reducing the genotoxicity of several carcinogens. It inhibits inflammatory cytokine production in vascular endothelial cells and is a potent modulator of cholesterol metabolism. |
| Molecular Formula |
C20H28O3
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|---|---|
| Molecular Weight |
316.4345
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| Exact Mass |
316.203
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| CAS # |
469-83-0
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| PubChem CID |
108052
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
468.6±45.0 °C at 760 mmHg
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| Melting Point |
160-162ºC (with decomposition) (ethyl ether pentane )
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| Flash Point |
237.2±28.7 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
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| Index of Refraction |
1.604
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| LogP |
4.03
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
23
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| Complexity |
507
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| Defined Atom Stereocenter Count |
6
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| SMILES |
C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3
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| InChi Key |
DNJVYWXIDISQRD-HWUKTEKMSA-N
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| InChi Code |
InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
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| Chemical Name |
(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~316.03 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.90 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1603 mL | 15.8013 mL | 31.6026 mL | |
| 5 mM | 0.6321 mL | 3.1603 mL | 6.3205 mL | |
| 10 mM | 0.3160 mL | 1.5801 mL | 3.1603 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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