| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
IC50: 1.3337 μM (TNIK)[1]
TNIK-IN-2 targets Traf2- and Nck-interacting protein kinase (TNIK), a downstream signaling protein of the Wnt/β-catenin pathway. It inhibits TNIK with an IC₅₀ of 1.3337 μM. TNIK is involved in the regulation of gene expression and cell proliferation, making it a potential target for cancer therapy. |
|---|---|
| ln Vitro |
TNIK-IN-2 (compound 1) inhibits TNIK in HCT116 cells, having an IC50 of 31.26 μM[1].
In vitro, TNIK-IN-2 inhibits TNIK kinase activity with an IC₅₀ of 1.3337 μM. It inhibits TNIK in HCT116 colorectal cancer cells with an IC₅₀ of 31.26 μM. This activity makes it a valuable tool for studying the Wnt/β-catenin pathway and colorectal cancer. |
| ln Vivo |
Specific in vivo activity data for TNIK-IN-2 are not available in the consulted sources. As a TNIK inhibitor targeting the Wnt/β-catenin pathway, it may have potential in vivo efficacy in colorectal cancer models. However, no systematic in vivo studies have been reported.
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| Enzyme Assay |
Typical in vitro assays for TNIK-IN-2 involve kinase activity assays using purified TNIK enzyme. The enzyme is incubated with ATP and a peptide substrate in the presence of various concentrations of the compound. Kinase activity is measured by radioactive (³³P-ATP) or luminescent (ADP-Glo) methods. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Cellular assays for TNIK-IN-2 typically involve treating HCT116 colorectal cancer cells with the compound at concentrations ranging from 1-100 µM. TNIK inhibition is assessed by measuring downstream signaling events such as Wnt/β-catenin target gene expression. Cell viability is assessed by MTT assay.
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| Animal Protocol |
In vivo animal experiments for TNIK-IN-2 are not detailed in the available literature. For colorectal cancer studies, typical animal models include xenograft mouse models where HCT116 cells are implanted and mice are treated with the compound. Tumor growth inhibition would be assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for TNIK-IN-2 are not available. As a small molecule with a molecular weight of 373.40 g/mol, it would be expected to have reasonable oral bioavailability. Detailed ADME parameters have not been characterized.
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| Toxicity/Toxicokinetics |
No toxicological data are available for TNIK-IN-2 in the consulted sources. As a research compound, comprehensive toxicological studies have not been reported. Standard laboratory safety precautions should be followed when handling the compound.
|
| References |
[1]. Li Y, et, al. Discovery of 3,4-Dihydrobenzo[ f][1,4]oxazepin-5(2 H)-one Derivatives as a New Class of Selective TNIK Inhibitors and Evaluation of Their Anti-Colorectal Cancer Effects. J Med Chem. 2022 Jan 5.
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| Additional Infomation |
TNIK-IN-2 is a Traf2- and Nck-interacting protein kinase (TNIK) inhibitor with an IC₅₀ of 1.3337 μM. TNIK is a downstream signaling protein of the Wnt/β-catenin pathway. The compound is used for colorectal cancer research. It is a research compound and is not approved for any clinical indication.
|
| Molecular Formula |
C22H19N3O3
|
|---|---|
| Molecular Weight |
373.40
|
| Exact Mass |
373.142
|
| CAS # |
2754265-76-2
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| PubChem CID |
162641719
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| Appearance |
White to off-white solid powder
|
| LogP |
3.7
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
|
| Heavy Atom Count |
28
|
| Complexity |
531
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)C3=CN=C4C(=C3)C=CN4)OC
|
| InChi Key |
OWFWIXZOWNBPBO-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C22H19N3O3/c1-27-18-5-3-4-17(12-18)25-22(26)19-7-6-14(11-20(19)28-2)16-10-15-8-9-23-21(15)24-13-16/h3-13H,1-2H3,(H,23,24)(H,25,26)
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| Chemical Name |
2-methoxy-N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)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) |
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
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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 | 2.6781 mL | 13.3905 mL | 26.7809 mL | |
| 5 mM | 0.5356 mL | 2.6781 mL | 5.3562 mL | |
| 10 mM | 0.2678 mL | 1.3390 mL | 2.6781 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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