| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
The primary target of benurestat is the enzyme urease. Urease is an enzyme produced by certain bacteria that catalyzes the hydrolysis of urea into ammonia and carbon dioxide. By inhibiting urease, benurestat reduces ammonia production and prevents the alkalinization of urine. This mechanism is useful for treating infections caused by urease-producing bacteria such as Proteus mirabilis.
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| ln Vitro |
In vitro studies have demonstrated the urease inhibitory activity of benurestat. The compound inhibits urease activity in biochemical assays. Benurestat's in vitro activity supports its use as a urease inhibitor for research purposes. Specific IC₅₀ values have been reported in the literature.
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| ln Vivo |
Administration of benurestat at doses of 25 mg/kg, 50 mg/kg, or 100 mg/kg results in a reduction of ammonia excreted in the urine by rats suffering from an experimental P. mirabilis genitourinary tract infection[1]. After receiving Benurestat along with Nitrofurantoin, Sulfamethoxazole, or Ampicillin, the number of viable bacteria in the bladders of infected rats is substantially lower than the numbers obtained from either separately administered component of the combination or from control infected rats[1].
In vivo studies have shown that benurestat is orally active. Administration of benurestat at doses of 25 mg/kg, 50 mg/kg, or 100 mg/kg results in a reduction of ammonia excreted in the urine by rats suffering from an experimental infection. The compound's in vivo efficacy has been demonstrated in animal models. |
| Enzyme Assay |
For urease inhibition assays, urease enzyme is incubated with a urea substrate in the presence of benurestat. Enzyme activity is measured by detecting ammonia production using colorimetric or enzymatic methods. IC₅₀ values are calculated from dose-response curves. Standard protocols for urease inhibition assays are described in the literature.
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| Cell Assay |
For in vitro cell-based studies, urease-producing bacteria such as Proteus mirabilis are cultured in appropriate media and treated with serial dilutions of benurestat. Bacterial growth and urease activity are assessed. The compound's effects on ammonia production are measured. Standard protocols for antimicrobial and urease inhibition studies are described in the literature.
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| Animal Protocol |
In vivo animal studies for benurestat have been conducted in rat models of infected ureolysis. Rats are treated with benurestat via oral administration at doses of 25, 50, or 100 mg/kg. Urinary ammonia excretion is measured. Efficacy endpoints include reduction in ammonia production. Standard protocols for in vivo urease inhibition studies are described in the literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of benurestat have been characterized. The compound is orally active. It has a molecular weight of 228.63 g/mol. Specific PK parameters such as half-life and bioavailability have been reported in the literature. The compound is typically stored as a solid at room temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for benurestat are available from preclinical studies. The compound has been evaluated for safety in animal models. Standard toxicology studies have been conducted. The compound is for research use only and is not intended for human therapeutic use without further development.
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| References |
[1]. J A Andersen. Benurestat, a urease inhibitor for the therapy of infected ureolysis. Invest Urol. 1975 Mar;12(5):381-6.
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| Additional Infomation |
Phenylurostat is an N-acylglycine.
Benurestat is an orally active urease inhibitor used for infected ureolysis research. It is also known as EU-2826 or NSC-220913. The compound is primarily used in the treatment of infections caused by urease-producing bacteria such as Proteus mirabilis. No clinical trials have been reported for this compound. Benurestat serves as a research tool for studying urease inhibition and bacterial infections. |
| Molecular Formula |
C9H9CLN2O3
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|---|---|
| Molecular Weight |
228.63
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| Exact Mass |
228.03
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| CAS # |
38274-54-3
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| PubChem CID |
38000
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| Appearance |
White to off-white solid
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| Density |
1.414g/cm3
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| Index of Refraction |
1.59
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| LogP |
1.357
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
15
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| Complexity |
240
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NCC(NO)=O)C1=CC=C(Cl)C=C1
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| InChi Key |
JFZGBMJPJZDNNT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H9ClN2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(13)12-15/h1-4,15H,5H2,(H,11,14)(H,12,13)
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| Chemical Name |
4-chloro-N-[2-(hydroxyamino)-2-oxoethyl]benzamide
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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 |
| 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: ~12.5 mg/mL (~54.7 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (5.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (5.47 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 DMSO stock solution (12.5 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 1.25 mg/mL (5.47 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 DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.3739 mL | 21.8694 mL | 43.7388 mL | |
| 5 mM | 0.8748 mL | 4.3739 mL | 8.7478 mL | |
| 10 mM | 0.4374 mL | 2.1869 mL | 4.3739 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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