| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
Carboxylesterase-IN-3 targets Carboxylesterase Notum (also known as Carboxylesterase-Notum). It is a potent inhibitor of this enzyme, which functions as a negative regulator of the Wnt signaling pathway by hydrolyzing a palmitoleoylate ester essential for Wnt ligand activity.
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| ln Vitro |
No detailed in vitro activity data is available beyond the biochemical IC50. As a Notum inhibitor, it is expected to enhance Wnt signaling by preventing the hydrolysis of the palmitoleoylate ester, thereby promoting Wnt pathway activation in cell-based models.
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| ln Vivo |
No in vivo data is reported for Carboxylesterase-IN-3. Based on its mechanism of Notum inhibition, it is hypothesized to modulate Wnt-dependent processes in animal models, but specific studies confirming its efficacy have not been detailed.
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| Enzyme Assay |
A typical biochemical Carboxylesterase Notum inhibition assay is performed using purified recombinant Notum enzyme. Varying concentrations of Carboxylesterase-IN-3 are incubated with the enzyme and a fluorogenic substrate (e.g., 4-methylumbelliferyl palmitoleate). After incubation at 37degC for 30-60 minutes, fluorescence is measured (excitation 360 nm, emission 460 nm) to calculate the IC50 value, which is reported as ≤10 nM.
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| Cell Assay |
For cell-based assays, a Wnt-responsive reporter cell line (e.g., HEK293 STF cells containing a SuperTopFlash luciferase reporter) is typically used. Cells are treated with increasing concentrations of Carboxylesterase-IN-3 in the presence of exogenous Wnt3a conditioned medium. After 16-24 hours, luciferase activity is measured, and the compound's ability to potentiate Wnt signaling is determined.
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| Animal Protocol |
No in vivo animal experiment data is available for this compound.
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| ADME/Pharmacokinetics |
A detailed pharmacokinetic profile for Carboxylesterase-IN-3 has not been reported in the literature.
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| Toxicity/Toxicokinetics |
No specific toxicology data is reported for Carboxylesterase-IN-3. As a research compound with an IC50 ≤10 nM, comprehensive toxicological profiling has not been performed.
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| References | |
| Additional Infomation |
Carboxylesterase-IN-3 (compound 4y) is a potent Carboxylesterase Notum inhibitor with an IC50 ≤10 nM. It acts as a negative regulator of the Wnt signaling pathway and has potential for studying Wnt-related diseases, particularly cancer. The compound has CAS number 2764748-92-5 and molecular formula C11H6Cl2N4OS with a molecular weight of 313.16.
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| Molecular Formula |
C11H6CL2N4OS
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|---|---|
| Molecular Weight |
313.162538051605
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| Exact Mass |
311.963
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| CAS # |
2764748-92-5
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| PubChem CID |
162394533
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
19
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| Complexity |
493
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=C(C=C1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl
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| InChi Key |
DYBIDXYUMDMCON-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18)
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| Chemical Name |
6-(3,4-dichlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-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: 100 mg/mL (319.33 mM)
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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 | 3.1933 mL | 15.9663 mL | 31.9326 mL | |
| 5 mM | 0.6387 mL | 3.1933 mL | 6.3865 mL | |
| 10 mM | 0.3193 mL | 1.5966 mL | 3.1933 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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