| Size | Price | Stock | Qty |
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| 100mg |
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| Other Sizes |
| Targets |
4-Ethylphenyl sulfate targets multiple biological systems. It reduces mature oligodendrocytes and myelin formation in the brain, affects PVT gene expression, and induces apoptosis via downregulation of Bcl2 and upregulation of Bax through the endogenous apoptotic pathway. It also causes endothelial dysfunction and is implicated in chronic kidney disease as a protein-bound uremic toxin.
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| ln Vitro |
In vitro, 4-Ethylphenyl sulfate (10 mM treatment for 72 hours) significantly reduces the viability of HCT-116 colon cancer cells, accompanied by cell volume reduction, formation of intracellular vesicles, and damage to cell membrane integrity. The compound is cytotoxic to colon cancer cells while showing selectivity in its deleterious effects. It also induces apoptosis through the endogenous apoptotic pathway in cancer cells.
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| ln Vivo |
In vivo, 4-Ethylphenyl sulfate reduces mature oligodendrocytes and myelin formation in the brain, affects PVT gene expression, and promotes anxiety-like behaviour in mice. It is orally active and penetrates the blood-brain barrier. As a protein-bound uremic toxin, it causes endothelial dysfunction and contributes to chronic kidney disease progression when accumulated systemically.
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| Enzyme Assay |
For in vitro cell viability assays, HCT-116 cells are cultured at 37degC with 5% CO2 in McCoy‘s 5A medium supplemented with 10% fetal bovine serum (FBS) and 1% penicillin-streptomycin. Cells are plated at a density of 2.5×10⁴ cells/mL in 96-well plates with growth medium for 24 hours. Cells are then treated with 4-ethylphenyl sulfate at varying concentrations (e.g., 10 mM) for 72 hours. Viability is assessed using MTT or similar colorimetric assays, with morphological changes documented microscopically.
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| Cell Assay |
HCT-116 colon cancer cells are seeded in McCoy's 5A medium with 10% FBS and 1% penicillin-streptomycin at 37degC in 5% CO2. After 24 hours of attachment, cells are treated with 4-ethylphenyl sulfate at concentrations ranging from 0 to 10 mM for 72 hours. Cell viability is measured using MTT assay: add MTT solution (5 mg/mL), incubate for 4 hours, dissolve formazan crystals in DMSO, and measure absorbance at 570 nm. Apoptosis can be confirmed by Annexin V/PI staining and flow cytometry.
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| Animal Protocol |
For in vivo studies, 4-ethylphenyl sulfate is administered orally to mice to assess its effects on brain and behaviour. A typical protocol involves daily oral gavage of the compound at doses determined from preliminary studies for a period of 2-4 weeks. After treatment, mice are subjected to behavioural tests such as elevated plus maze or open field test to evaluate anxiety-like behaviour. Brain tissues are collected for immunohistochemistry to assess oligodendrocyte numbers and myelin formation, and PVT gene expression is analyzed by qPCR.
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| ADME/Pharmacokinetics |
4-Ethylphenyl sulfate is orally bioavailable and exhibits blood-brain barrier penetration. As a gut microbial metabolite, its systemic exposure depends on dietary intake and gut microbial composition. In humans, elevated levels are associated with autism spectrum disorders and chronic kidney disease. Detailed PK parameters such as t1/2, Cmax, and AUC have not been fully characterized but are typically determined via LC-MS/MS methods in plasma and urine.
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| Toxicity/Toxicokinetics |
4-Ethylphenyl sulfate is considered a uremic toxin and gut microbial metabolite with potential toxicity at elevated concentrations. It causes endothelial dysfunction and is associated with chronic kidney disease progression. In vitro, it exhibits cytotoxicity to colon cancer cells at 10 mM. As an endogenous metabolite, toxicological profiles are derived from disease association studies rather than formal toxicology assessments. Not approved for human therapeutic use.
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| References |
[1]. Archana, et al. Electrochemical sensor based on polydopamine-molecularly imprinted polymer for detection of 4-ethylphenyl sulfate “a novel gut metabolite”: Fabrication, characterization, and performance evaluation in human urine. Microchemical Journal Volume 193, October 2023, 108964.
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| Additional Infomation |
4-Ethylphenyl sulfate is an aryl sulfate ester, a compound in which the hydroxyl group of 4-ethylphenol is replaced by a sulfonoxy group. It is a human metabolite, a uremic toxin, and a byproduct of gut microbiota metabolism. It belongs to the aryl sulfate class and is also a benzene group. Functionally, it is related to 4-ethylphenol. It is the conjugate acid of 4-ethylphenyl sulfate (1-).
This compound is not a drug but a gut microbial metabolite and research biomarker. 4-Ethylphenyl sulfate is widely used as a diagnostic biomarker for intestinal flora imbalance and autism. It also serves as a reference standard for developing liquid chromatography/electrospray ionization methods. It is available for research use only and is not approved for human therapeutic or diagnostic applications by any regulatory agency. No clinical trials have been conducted with this compound as a therapeutic agent. |
| Molecular Formula |
C8H10O4S
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|---|---|
| Molecular Weight |
202.23
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| Exact Mass |
202.03
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| CAS # |
85734-98-1
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| PubChem CID |
20822574
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| Appearance |
White to off-white solid powder
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| LogP |
2.511
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
13
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| Complexity |
233
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(OS(O)(=O)=O)=CC=C(CC)C=C1
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| InChi Key |
DWZGLEPNCRFCEP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H10O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
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| Chemical Name |
(4-ethylphenyl) hydrogen sulfate
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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, avoid exposure to moisture. |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 4.9449 mL | 24.7243 mL | 49.4486 mL | |
| 5 mM | 0.9890 mL | 4.9449 mL | 9.8897 mL | |
| 10 mM | 0.4945 mL | 2.4724 mL | 4.9449 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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