| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
| 500mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
JNK3 (IC50 = 0.7 nM); JNK1 (IC50 = 1.5 nM); JNK2 (IC50 = 2 nM)
JNK-IN-7 targets JNK1, JNK2, and JNK3, which are key regulators of stress signaling, apoptosis, and inflammation. It is a relatively selective JNK inhibitor in cells. It also binds to other kinases, including IRAK1 (IC50 = 14.1 nM), YSK4 (IC50 = 4.8 nM), ERK3 (IC50 = 22 nM), PIK3C3, PIP5K3, and PIP4K2C. It inhibits the phosphorylation of c-Jun, a direct substrate of JNK kinase. |
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| ln Vitro |
JNK-IN-7 is a relatively selective JNK inhibitor in cells. JNK-IN-7 binds to IRAK1 (IC50 = 14.1 nM), YSK4 (IC50 = 4.8 nM), ERK3 (IC50 = 22 nM), PIK3C3, PIP5K3, and PIP4K2C in addition to JNK 1, 2, and 3[1]. It has been shown that TNF stimulation for 24 and 48 hours significantly reduces the expression of divalent metal-ion transporter 1 (DMT1) in HCT116, while JNK-IN-7 can significantly reverse the decrease. While JNK-IN-7 can significantly suppress this function, TNF can down-regulate DMT1 expression[2].
In vitro, JNK-IN-7 is used to study the role of JNK in various cellular processes. It has been shown to reverse the TNF-induced decrease in divalent metal-ion transporter 1 (DMT1) expression in HCT116 cells. It is used at concentrations of 1 μM in cell culture. Its effects on cell signaling and gene expression are measured in cell-based assays. |
| ln Vivo |
In vivo, JNK-IN-7 is used as a research tool in preclinical models to study JNK signaling pathways. It has been shown to have effects in various disease models related to inflammation and cancer. Its in vivo efficacy is evaluated by measuring the inhibition of JNK activity and downstream signaling in tissues.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for JNK-IN-7 involves measuring its ability to inhibit the kinase activity of JNK1, JNK2, and JNK3. This is typically done using a kinase assay with a peptide substrate and ATP. The IC50 for each isoform is determined. Its binding to other kinases such as IRAK1 can also be measured.
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| Cell Assay |
In DMEM medium, intestinal epithelial cell line (HCT116) is cultured. JNK-IN-7 (1 μM), NF-κB inhibitor (BAY 11-7082, 1 μM), and caspase-3/8 inhibitor (Z-DEVD-FMK, 50 μM) are also added to the culture medium in order to identify the mechanisms of TNF involved in controlling DMT1 expression. Cells are then collected after 48 hours of culture in order to use qRT-PCR to find DMT1 expression[2].
In vitro cellular assays for JNK-IN-7 are performed on various cell lines, such as HCT116 intestinal epithelial cells. Cells are treated with JNK-IN-7, and the effects on JNK signaling, gene expression, and cell viability are measured. For example, DMT1 expression is measured by qRT-PCR after 48 hours of treatment. |
| Animal Protocol |
In vivo animal experiments for JNK-IN-7 are conducted in preclinical models of disease. The compound is typically administered via intraperitoneal (IP) or oral (PO) routes. The effects on disease progression, tissue JNK activity, and downstream signaling are assessed.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic properties of JNK-IN-7 are not extensively documented in the available literature. As a small molecule with a molecular weight of 493.57 g/mol and a LogP of 2.33, it is expected to have reasonable membrane permeability. It is typically stored as a powder at -20°C and is soluble in DMSO.
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| Toxicity/Toxicokinetics |
Specific toxicity data for JNK-IN-7 are not readily available in the public domain, as it is primarily a research compound. Its selectivity for JNKs over other kinases suggests a potentially favorable safety profile. As with all research chemicals, standard laboratory safety practices should be followed.
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| References | |
| Additional Infomation |
JNK-IN-7 is a research compound used to study the JNK signaling pathway. It is also known as JNK inhibitor and JNK IN 7. It is not an FDA-approved drug and is exclusively for research purposes. It is a valuable tool for investigating the role of JNK in cancer, inflammation, and neurodegenerative diseases.
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| Molecular Formula |
C28H27N7O2
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|---|---|
| Molecular Weight |
493.57
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| Exact Mass |
493.222
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| Elemental Analysis |
C, 68.14; H, 5.51; N, 19.87; O, 6.48
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| CAS # |
1408064-71-0
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| Related CAS # |
1408064-71-0
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| PubChem CID |
57340685
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| Appearance |
White to gray solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.694
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| LogP |
2.33
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
753
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1C([H])=C([H])C([H])=C(C=1[H])N([H])C(/C(/[H])=C(\[H])/C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=O)N([H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])C1=NC([H])=C([H])C(C2=C([H])N=C([H])C([H])=C2[H])=N1
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| InChi Key |
RADRIIWGHYFWPP-WEVVVXLNSA-N
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| InChi Code |
InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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| Chemical Name |
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
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| Synonyms |
JNK inhibitor; JNK IN 7; JNK-IN-7; JNKIN7
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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: 33.3~50 mg/mL (67.5~101.3 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (5.57 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 27.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.75 mg/mL (5.57 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 27.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0261 mL | 10.1303 mL | 20.2606 mL | |
| 5 mM | 0.4052 mL | 2.0261 mL | 4.0521 mL | |
| 10 mM | 0.2026 mL | 1.0130 mL | 2.0261 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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