| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
Urease (a nickel-dependent metalloenzyme). Urease-IN-6 is a thiourea-based inhibitor that selectively blocks the nickel-containing active site of urease, preventing the hydrolysis of urea to ammonia and carbon dioxide. By inhibiting urease, it reduces ammonia production, which is a key pathogenic factor in peptic and gastric ulcers (associated with H. pylori infection), urinary tract infections, and other gastrointestinal and infectious diseases. Urease-IN-6 is a potent urease inhibitor, exhibiting an IC50 value of 14.2 microM.
|
|---|---|
| ln Vitro |
Urease-IN-6 is a potent inhibitor of urease (IC50 = 14.2 microM). In vitro, it blocks the activity of urease from various sources, including bacterial urease (e.g., from Helicobacter pylori, Proteus mirabilis). It inhibits ammonia production from urea hydrolysis in a dose-dependent manner. The thiourea-based compound selectively blocks the nickel-dependent active site of urease. It is a potent Urease inhibitor, with IC50 of 14.2 microM. It can be used in the study of peptic and gastric ulcers.
|
| ln Vivo |
Urease-IN-6 is used in preclinical research for peptic and gastric ulcers. By inhibiting urease, it reduces the production of ammonia, which neutralizes gastric acid and promotes H. pylori colonization. In animal models of H. pylori infection or gastric ulcer, urease inhibitors are expected to reduce bacterial burden, decrease ammonia levels, and promote ulcer healing. It is used in the study of peptic and gastric ulcers.
|
| Enzyme Assay |
For a cell-free urease inhibition assay, urease enzyme (e.g., from jack bean or recombinant bacterial urease) is used. A typical protocol is as follows. Urease (1-5 U/mL) is incubated with various concentrations of Urease-IN-6 (0.01-1000 uM) in 100 uL of assay buffer (100 mM phosphate buffer, pH 7.5, containing 10 mM urea and 0.1 mM EDTA) at 37degC for 15-30 minutes. The reaction is initiated by adding urea substrate (10-50 mM). After 15-60 minutes at 37degC, the reaction is stopped by adding 500 uL of phenol-nitroprusside solution and 500 uL of alkaline hypochlorite solution (Berthelot reaction). The mixture is incubated at room temperature for 20 minutes, and the absorbance at 630 nm (or 540-700 nm) is measured spectrophotometrically. The amount of ammonia released is quantified. The IC50 is determined by plotting percentage inhibition against inhibitor concentration and fitting to a sigmoidal dose-response curve. For kinetic analysis (Lineweaver-Burk plot), various concentrations of urea (2.5-40 mM) are used. Urease-IN-6 is a thiourea-based compound that selectively blocks the nickel-dependent active site of urease, with IC50 = 14.2 microM.
|
| Cell Assay |
For in vitro cellular or antibacterial assays, H. pylori (or other urease-producing bacteria) are cultured on appropriate media (e.g., blood agar or selective agar for H. pylori). A rapid urease test (RUT) is performed: a bacterial suspension (10⁸ CFU/mL) is mixed with urease test reagent containing urea and a pH indicator (phenol red). Urease-IN-6 (0.1-1000 uM) is added, and the color change from yellow to pink (due to ammonia production and pH increase) is monitored over time. The time to color change is recorded. Alternatively, bacteria are inoculated into urease broth containing Urease-IN-6 at various concentrations, and ammonia production is quantified by the Berthelot reaction. For MIC determination, standard broth microdilution methods can be used; however, urease inhibitors are typically not bactericidal but function as anti-virulence agents by blocking the enzyme that facilitates colonization. Urease-IN-6 can be used in study peptic and gastric ulcers.
|
| Animal Protocol |
No specific in vivo animal study protocols are documented. A typical protocol for evaluating a urease inhibitor in a gastric ulcer model would be as follows. Male Sprague-Dawley rats (200-250 g) are fasted overnight, and gastric ulcers are induced by oral administration of 60% ethanol (1 mL/rat) or by pylorus ligation (Shay model). Alternatively, H. pylori infection can be established by oral inoculation of H. pylori (10⁸-10⁹ CFU) in mice or gerbils. Urease-IN-6 is administered orally (10-100 mg/kg) 1-2 hours before ulcer induction or daily for 5-7 days in infection models. Control groups receive vehicle (e.g., 0.5% methylcellulose) or positive control (e.g., omeprazole, bismuth salts, or standard H. pylori triple therapy). At the end of the treatment period, animals are euthanized. Stomachs are excised, opened along the greater curvature, and washed with saline. The ulcer index (length and number of lesions) is measured macroscopically. For infection models, gastric tissue is homogenized, and H. pylori is cultured on selective media to determine bacterial load. Urease activity in gastric tissue homogenates is measured by the Berthelot method. Urease-IN-6 may be utilized in the study of peptic and gastric ulcers.
|
| ADME/Pharmacokinetics |
No pharmacokinetic data has been reported. Urease-IN-6 is a small molecule with a molecular weight of 325.43 g/mol. It is soluble in DMSO (100 mg/mL). As a thiourea-based compound, it may have moderate oral bioavailability and tissue distribution. The compound is likely to be metabolized in the liver. Specific ADME properties require experimental determination.
|
| Toxicity/Toxicokinetics |
No specific toxicity data has been reported. Thiourea derivatives can be toxic at high doses, but Urease-IN-6 has not undergone formal toxicity testing. In vitro, it shows no significant cytotoxicity at concentrations up to 100 uM in most cell lines. The compound is for research use only. Standard chemical safety precautions should be used when handling. It may be an irritant. Not for human use.
|
| References |
[1]. Kanwal, et al. Syntheses, in vitro urease inhibitory activities of urea and thiourea derivatives of tryptamine, their molecular docking and cytotoxic studies. Bioorg Chem. 2019 Mar;83:595-610.
|
| Additional Infomation |
Urease-IN-6 is also known as 1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)thiourea. The molecular formula is C18H19N3OS, and the molecular weight is 325.43. The IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)thiourea. It is a thiourea-based urease inhibitor with an IC50 of 14.2 microM. It is used as a research tool for studying urease in the context of H. pylori infections, peptic ulcers, gastric ulcers, and other ammonia-related diseases (e.g., hepatic encephalopathy). It is not approved for clinical use. It is stored as a powder at -20degC, protected from light and moisture. Purity: ≥98%.
|
| Molecular Formula |
C18H19N3OS
|
|---|---|
| Molecular Weight |
325.428
|
| Exact Mass |
325.124
|
| CAS # |
362502-79-2
|
| PubChem CID |
713457
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.8
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
23
|
| Complexity |
385
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32
|
| InChi Key |
USHGHTOQCIQMRQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H19N3OS/c1-22-15-8-6-14(7-9-15)21-18(23)19-11-10-13-12-20-17-5-3-2-4-16(13)17/h2-9,12,20H,10-11H2,1H3,(H2,19,21,23)
|
| Chemical Name |
1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)thiourea
|
| 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) |
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
|
|---|---|
| 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 | 3.0729 mL | 15.3643 mL | 30.7286 mL | |
| 5 mM | 0.6146 mL | 3.0729 mL | 6.1457 mL | |
| 10 mM | 0.3073 mL | 1.5364 mL | 3.0729 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
