| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Ethyl phenylglyoxylate targets chicken liver carboxylesterase, where it acts as a simultaneous inhibitor and substrate. It is also a metabolite found in cancer metabolism and plays a role in human metabolism. However, its primary use is as a synthetic reagent in organic chemistry rather than as a therapeutic agent.
|
|---|---|
| ln Vitro |
In vitro, Ethyl phenylglyoxylate is a simultaneous inhibitor and substrate of chicken liver carboxylesterase. It is used as a synthetic reagent and has been used in the preparation of 1,5-dihydro-5-deazaflavin derivatives. Specific IC50 values for enzyme inhibition are not detailed.
|
| ln Vivo |
Ethyl phenylglyoxylate is not used as a therapeutic compound in vivo. It is a chemical reagent and a metabolite found in cancer metabolism. It is not administered to animals for therapeutic purposes.
|
| Enzyme Assay |
The carboxylesterase inhibitory activity is assessed using enzyme activity assays. Chicken liver carboxylesterase is incubated with a substrate and various concentrations of Ethyl phenylglyoxylate. The hydrolysis of the substrate is measured spectrophotometrically or fluorometrically, and the inhibition is calculated. The compound acts as both a substrate and an inhibitor.
|
| Cell Assay |
Ethyl phenylglyoxylate is not typically used in cellular assays as it is not a biologically active compound for therapeutic research. It is a chemical reagent and synthetic intermediate. The compound has a molecular formula of C10H10O3 and a molecular weight of 178.19 g/mol.
|
| Animal Protocol |
In vivo studies for Ethyl phenylglyoxylate are not conducted as it is not a therapeutic compound.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for Ethyl phenylglyoxylate are not applicable as it is not a therapeutic compound. The compound has a molecular formula of C10H10O3 and a molecular weight of 178.19 g/mol.
|
| Toxicity/Toxicokinetics |
Ethyl phenylglyoxylate is a chemical reagent and should be handled with appropriate safety precautions. It may cause irritation to skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed, including the use of gloves, eye protection, and proper ventilation.
|
| References | |
| Additional Infomation |
Ethyl phenylglyoxylate is the ethyl ester of phenylglyoxylic acid. It is a metabolite found in cancer metabolism, plays a role in human metabolism, and is functionally related to phenylglyoxylic acid.
Ethyl phenylglyoxylate is a synthetic reagent used in organic chemistry and as a simultaneous inhibitor and substrate of chicken liver carboxylesterase. Molecular formula: C10H10O3, molecular weight: 178.19 g/mol. No clinical applications exist. For research use only as a chemical reagent. |
| Molecular Formula |
C10H10O3
|
|---|---|
| Molecular Weight |
178.18
|
| Exact Mass |
178.062
|
| CAS # |
1603-79-8
|
| PubChem CID |
15349
|
| Appearance |
Colorless to light yellow liquid（Density：1.122 g/cm3）
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
256.5±0.0 °C at 760 mmHg
|
| Melting Point |
97ºC
|
| Flash Point |
111.4±15.9 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.513
|
| LogP |
1.8
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
13
|
| Complexity |
192
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCOC(=O)C(=O)C1=CC=CC=C1
|
| InChi Key |
QKLCQKPAECHXCQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
|
| Chemical Name |
ethyl 2-oxo-2-phenylacetate
|
| 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: 100 mg/mL (561.23 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.03 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 (14.03 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 (14.03 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 | 5.6123 mL | 28.0615 mL | 56.1230 mL | |
| 5 mM | 1.1225 mL | 5.6123 mL | 11.2246 mL | |
| 10 mM | 0.5612 mL | 2.8062 mL | 5.6123 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
