| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
|
||
| Other Sizes |
| Targets |
Flavoring Agents; ester precursor for antibiotic Sulopenem
Etzadroxil itself is not the active antibacterial agent but rather a prodrug. Its target is the bacterial cell wall synthesis machinery, as it is converted to Sulopenem, which is a beta-lactam antibiotic. Sulopenem inhibits penicillin-binding proteins (PBPs), which are essential for bacterial cell wall synthesis. This leads to bacterial cell death. |
|---|---|
| ln Vitro |
Sulopenem is accessible as an oral ester prodrug called Sulopenem Etzadroxil. The ester bond is broken during oral sulopenem etzadroxil administration, yielding active sulopenem[2].
In vitro, Etzadroxil is converted to Sulopenem, which exhibits broad-spectrum activity against Gram-positive and Gram-negative bacteria. The prodrug form is designed to be orally available, allowing for convenient administration. The antibacterial activity is attributed to the active metabolite Sulopenem. |
| ln Vivo |
In vivo, Sulopenem Etzadroxil is an orally available prodrug of Sulopenem. It is used to treat infections caused by multi-drug resistant bacteria, such as urinary tract infections. The prodrug is absorbed from the gastrointestinal tract and converted to the active antibiotic Sulopenem, which then exerts its antibacterial effects.
|
| Enzyme Assay |
Specific in vitro enzyme/receptor binding assay protocols for Etzadroxil are not applicable, as it is a prodrug. Its activity is assessed by measuring the antibacterial activity of Sulopenem after conversion. Standard antimicrobial susceptibility testing is used to determine the minimum inhibitory concentration (MIC) of Sulopenem against various bacterial strains.
|
| Cell Assay |
Cellular assays for Etzadroxil are not typically performed, as its activity is antibacterial rather than cytotoxic. Antibacterial activity is assessed using standard broth microdilution methods to determine MIC values against bacterial strains. The prodrug's conversion to Sulopenem is confirmed in vitro using stability studies.
|
| Animal Protocol |
In vivo animal protocols for Etzadroxil involve administering the compound orally to animal models of bacterial infection, such as mouse models of urinary tract infection. The efficacy of the prodrug is evaluated by measuring bacterial load in tissues and monitoring survival. These studies confirm the prodrug's ability to deliver active Sulopenem.
|
| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of Etzadroxil are related to its role as a prodrug. It is designed to be orally absorbed and converted to Sulopenem. The prodrug form improves the oral bioavailability of Sulopenem, which is poorly absorbed. The PK profile of Sulopenem is determined after administration of the prodrug.
|
| Toxicity/Toxicokinetics |
Toxicity data for Etzadroxil are likely related to the toxicity of Sulopenem. As a beta-lactam antibiotic, it is generally well-tolerated, but can cause allergic reactions and gastrointestinal disturbances. The compound is intended for research use only and is not approved for human therapeutic use.
|
| References |
[1]. Determination of volatile compounds in cider spirits by gas chromatography with direct injection. J Chromatogr Sci. 2007 Aug;45(7):428-34.
[2]. Interscience Conference on Antimicrobial Agents and Chemotherapy--49th annual meeting. Part 2. 12-15 September 2009, San Francisco, CA, USA. IDrugs. 2009 Nov;12(11):670-2. |
| Additional Infomation |
2-Ethyl butyrate is a fatty acid ester. This paper describes two gas chromatography-direct injection-based analytical methods for the quantitative analysis of volatile compounds (acetals, aldehydes, esters, alcohols, and volatile phenols) in apple brandy. Based on the common concentrations of volatile compounds in the samples, they were divided into major volatile compounds (15) and minor volatile compounds (24). Parameters commonly used in method validation were evaluated. Correlation coefficients were calculated to assess linearity, and all results were greater than 0.999. The limits of detection (LODs) for major volatile compounds ranged from 0.325 mg/L (1-propanol) to 1.663 mg/L (methanol), and the LODs for minor volatile compounds ranged from 0.086 mg/L (ethyl 2-methylbutyrate) to 0.332 mg/L (ethyl tetradecanoate). The average recoveries of the major volatile components ranged from 109% (ethyl lactate) to 95% (1-butanol), and the average recoveries of the minor volatile components ranged from 109% (1-octen-3-ol) to 94% (ethyl 2-methylbutyrate), thus confirming the accuracy of the two methods. The reproducibility of the major volatile components was less than 5.4% (furfural) in all cases, and the reproducibility of the minor volatile components was less than 9.6% (hexyl acetate). In addition, the accuracy of these methods was evaluated by analyzing one certified whisky and five interlaboratory comparison samples, with results that were generally consistent with previous values. [1]
Etzadroxil (Ethyl 2-Ethylbutyrate) is an oral prodrug of Sulopenem, a broad-spectrum antibiotic. It is used in research to improve the oral bioavailability of Sulopenem. The compound is not currently in clinical trials and is intended for research purposes. |
| Molecular Formula |
C8H16O2
|
|---|---|
| Molecular Weight |
144.21
|
| Exact Mass |
144.115
|
| CAS # |
2983-38-2
|
| PubChem CID |
76326
|
| Appearance |
Colorless to light yellow liquid（Density：0.864 g/cm3）
|
| Density |
0.876g/cm3
|
| Boiling Point |
152ºC
|
| Melting Point |
149-152ºC
|
| Flash Point |
46.7ºC
|
| Vapour Pressure |
2.91mmHg at 25°C
|
| Index of Refraction |
1.411
|
| LogP |
1.985
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
10
|
| Complexity |
95.4
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCC(CC)C(=O)OCC
|
| InChi Key |
MJGSLNIPTRPYJV-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
|
| Chemical Name |
ethyl 2-ethylbutanoate
|
| Synonyms |
Ethyl 2-ethylbutanoate; Ethyl 2-ethylbutyrate; 2-Ethyl-n-butyric acid ethyl ester; Butanoic acid, 2-ethyl-, ethyl ester; ...; 2983-38-2;
|
| 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 (693.43 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.34 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 (17.34 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 (17.34 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 | 6.9343 mL | 34.6717 mL | 69.3433 mL | |
| 5 mM | 1.3869 mL | 6.9343 mL | 13.8687 mL | |
| 10 mM | 0.6934 mL | 3.4672 mL | 6.9343 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
