| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
JNK2 500 nM (IC50) JNK3 290 nM (IC50)
JNK-IN-13 targets the c-Jun N-terminal kinase (JNK) family. Specifically, it inhibits JNK2 and JNK3 isoforms. The IC50 values for JNK3 and JNK2 are 290 nM and 500 nM, respectively. By inhibiting these kinases, the compound disrupts the MAPK signaling pathway. JNKs are key mediators of cellular responses to stress, cytokines, and growth factors, and they play critical roles in inflammation, apoptosis, and metabolism. |
|---|---|
| ln Vitro |
In cell-free enzymatic assays, JNK-IN-13 demonstrates potent inhibitory activity against JNK3 with an IC50 of 290 nM and against JNK2 with an IC50 of 500 nM. The compound is described as a selective JNK inhibitor. These biochemical data confirm its direct binding affinity for and inhibition of the ATP-binding pocket within the kinase domains of these targets.
|
| ln Vivo |
Specific cellular activity data for JNK-IN-13 is not detailed in standard chemical databases. As a potent JNK inhibitor, it is hypothesized to attenuate JNK-mediated phosphorylation of downstream substrates such as c-Jun in cell-based assays when used at concentrations above its in vitro IC50s. It can be utilized to study JNK-dependent apoptosis, inflammation, and metabolic regulation in relevant cell lines.
|
| Enzyme Assay |
The in vitro enzyme inhibition assay typically employs recombinant human JNK2 or JNK3 kinase domains. The test compound is serially diluted in assay buffer containing ATP (at Km concentration) and a biotinylated substrate peptide. The reaction mixture is incubated at room temperature for 60 minutes. Kinase activity is quantified by adding a detection mix containing anti-phospho-substrate antibody and Europium-labeled secondary antibody. Time-resolved fluorescence resonance energy transfer (TR-FRET) signal is measured, and IC50 values are calculated by fitting data to a four-parameter logistic equation using GraphPad Prism.
|
| Cell Assay |
In a typical in vitro cellular assay, human hepatoma cells (HepG2) or neuronal cell lines are seeded in 96-well plates and cultured overnight. Cells are pre-treated with varying concentrations of JNK-IN-13 (0.1 uM to 10 uM) for 1 hour, then stimulated with anisomycin (1 ug/mL) to activate the JNK pathway. After 30 minutes, cells are lysed and total protein is harvested. Phosphorylation levels of c-Jun (a direct JNK substrate) are measured using a specific sandwich ELISA kit or by Western blot analysis using anti-phospho-c-Jun antibody.
|
| Animal Protocol |
Specific in vivo protocols for JNK-IN-13 in animal models are not available in standard chemical databases. A representative protocol for JNK inhibitor studies would involve a mouse model of LPS-induced systemic inflammation. JNK-IN-13 would be administered via intraperitoneal injection at doses ranging from 1-30 mg/kg, one hour prior to LPS challenge. Blood and liver tissues would be collected post-stimulation for measuring pro-inflammatory cytokine levels (TNF-alpha, IL-6) via ELISA and quantifying phosphorylated c-Jun levels in tissue lysates by Western blotting.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for JNK-IN-13 has not been published. As a small molecule JNK inhibitor intended for research use, its properties are likely comparable to other ATP-competitive kinase inhibitors. It is anticipated to have moderate oral bioavailability and a half-life suitable for in vivo studies. Typical PK studies would involve intravenous (IV) and oral (PO) administration in rodents, followed by serial plasma sampling and LC-MS/MS analysis to determine key parameters such as Cmax, T1/2, AUC, and clearance.
|
| Toxicity/Toxicokinetics |
Toxicology data specific to JNK-IN-13 is not available in standard chemical databases. As a research chemical, JNK inhibitors are generally well-tolerated in acute settings. Potential off-target effects at high doses could include cytotoxicity due to suppression of essential JNK functions in cell survival. Standard safety assessment would involve MTT assays on primary hepatocytes to assess acute cytotoxicity and wider kinase panel screening to evaluate selectivity.
|
| References | |
| Additional Infomation |
JNK-IN-13 is exclusively a research chemical and is not approved for clinical use. It is referenced in patent EP1110957A1 as a benzazole derivative JNK modulator. The compound is valuable for studying JNK's role in diabetes, inflammation, and neurological disorders. JNK-IN-13 has a molecular formula of C13H7ClN4S with a molecular weight of 286.74 and is soluble in DMSO.
|
| Molecular Formula |
C13H7CLN4S
|
|---|---|
| Molecular Weight |
286.74
|
| Exact Mass |
286.008
|
| CAS # |
345986-38-1
|
| PubChem CID |
395229
|
| Appearance |
White to yellow solid powder
|
| LogP |
3.395
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
19
|
| Complexity |
371
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)Cl
|
| InChi Key |
QVMKLKBODZHJDK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H7ClN4S/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H
|
| Chemical Name |
2-(1,3-benzothiazol-2-yl)-2-(2-chloropyrimidin-4-yl)acetonitrile
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
DMSO: ≥ 31 mg/mL (108.11 mM)
|
|---|---|
| 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 | 3.4875 mL | 17.4374 mL | 34.8748 mL | |
| 5 mM | 0.6975 mL | 3.4875 mL | 6.9750 mL | |
| 10 mM | 0.3487 mL | 1.7437 mL | 3.4875 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
