| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
ATPase-IN-3 targets ATPase enzymes. The compound's gastroprotective mechanism involves engagement with anti-apoptotic BCL-2 and tumor suppressor P53 proteins. By inhibiting ATPase activity, the compound may modulate cellular energy metabolism and stress responses. The interaction with BCL-2 and P53 suggests that ATPase-IN-3 influences apoptotic pathways, contributing to its protective effects in gastric ulcer models. Further studies are needed to fully elucidate its molecular targets.
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| ln Vitro |
In vitro, ATPase-IN-3 has been shown to inhibit ATPase activity. The compound's gastroprotective effects have been demonstrated in ethanol-induced gastric ulcer models. The mechanism involves contribution of anti-apoptotic (BCL-2) and tumor suppressor (P53) proteins. ATPase-IN-3's effects on cellular energy metabolism and apoptosis have been characterized in vitro. The compound's IC50 for ATPase inhibition and its effects on cell viability have been evaluated in appropriate cell-based systems.
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| ln Vivo |
In vivo, ATPase-IN-3 has demonstrated gastroprotective effects in ethanol-induced gastric ulcer models. The compound's protective role is mediated through engagement with anti-apoptotic BCL-2 and tumor suppressor P53 proteins. These findings suggest that ATPase-IN-3 may have therapeutic potential for gastric ulcer treatment. The compound's in vivo efficacy and mechanism of action have been characterized in animal models of gastric injury.
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| Enzyme Assay |
In vitro enzyme assays for ATPase-IN-3 involve measuring ATPase activity in the presence of the compound. ATPase enzymes are incubated with ATP substrate, and the release of inorganic phosphate is measured colorimetrically or using coupled enzyme assays. The compound is tested at various concentrations to determine IC50 values for ATPase inhibition. Specificity is assessed by testing against different ATPase isoforms or related enzymes. The compound's effects on ATPase activity in tissue homogenates or cell lysates can also be evaluated.
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| Cell Assay |
In vitro cellular assays for ATPase-IN-3 involve treating gastric epithelial cells or other relevant cell lines with the compound. Cell viability is assessed using MTT or similar assays. Apoptosis is evaluated by measuring caspase activity, Annexin V staining, or BCL-2 and P53 protein levels by Western blotting. The compound's effects on cellular ATP levels and energy metabolism can also be assessed. These assays help elucidate the compound's mechanism of action and its protective effects against cellular injury.
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| Animal Protocol |
In vivo animal studies for ATPase-IN-3 involve administration to rodent models of ethanol-induced gastric ulcer. The compound is typically administered orally or intraperitoneally prior to ethanol challenge. Gastric tissue is examined for ulcer formation, and histological assessment is performed. Markers of apoptosis (BCL-2, P53) and oxidative stress are measured in gastric tissue. The compound's gastroprotective efficacy is evaluated by comparing ulcer indices and biochemical markers between treated and control groups.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ATPase-IN-3 are limited. As a small molecule ATPase inhibitor with a molecular weight of 266.3, the compound is expected to have reasonable oral bioavailability and tissue distribution. Specific pharmacokinetic parameters such as half-life, Cmax, and AUC have not been reported. The compound's metabolism and excretion pathways are not characterized in the available literature. Further studies are needed to understand its ADME properties.
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| Toxicity/Toxicokinetics |
Toxicological data for ATPase-IN-3 are limited. As a research compound, comprehensive toxicological assessments have not been widely reported. The compound's safety profile has not been established in standard toxicological studies. Given its mechanism of action involving ATPase inhibition and modulation of BCL-2 and P53, potential toxicities related to energy metabolism disruption and apoptosis should be considered. Further studies are needed to evaluate the compound's safety for potential therapeutic applications.
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| References | |
| Additional Infomation |
ATPase-IN-3 is a research compound with ATPase inhibitory activity and gastroprotective effects. It has demonstrated protective effects in ethanol-induced gastric ulcer models through engagement with BCL-2 and P53 proteins. The compound can be used in the study of metabolism-related diseases. ATPase-IN-3 is not approved for clinical use and is intended for research purposes only. Further studies are needed to fully characterize its mechanism of action and therapeutic potential.
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| Molecular Formula |
C10H6N2O3S2
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|---|---|
| Molecular Weight |
266.296239376068
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| Exact Mass |
265.981
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| CAS # |
1134203-12-5
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| PubChem CID |
1241127
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
403
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)NC(=S)S2
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| InChi Key |
AVXJAQDWWJILLN-YVMONPNESA-N
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| InChi Code |
InChI=1S/C10H6N2O3S2/c13-9-8(17-10(16)11-9)5-6-2-1-3-7(4-6)12(14)15/h1-5H,(H,11,13,16)/b8-5-
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| Chemical Name |
(5Z)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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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 :~125 mg/mL (~469.40 mM; with sonication (<60°C))
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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 | 3.7552 mL | 18.7758 mL | 37.5516 mL | |
| 5 mM | 0.7510 mL | 3.7552 mL | 7.5103 mL | |
| 10 mM | 0.3755 mL | 1.8776 mL | 3.7552 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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