| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
TBK1 (IC50 = 93 nM); IKK-ε (IC50 = 469 nM); IKK2 (IC50 = 790 nM)
GSK319347A targets TBK1 and IKKε, two non-canonical IκB kinases that are key regulators of innate immune signaling and inflammation. It inhibits TBK1 with an IC50 of 93 nM and IKKε with an IC50 of 469 nM. The compound also inhibits IKK2 (IKKβ) with an IC50 of 790 nM. It exhibits >100-fold selectivity for IKKε over IKKα and IKKβ, as well as a range of other kinases. |
|---|---|
| ln Vitro |
GSK319347A (Compound 1) has good cell potency (72 nM) and an IC50 of 93 nM for inhibiting the TBK1 enzyme. Additionally, CDK2 and AurB are excellent targets for IKK-3 Inhibitor's excellent selectivity[1]. A brand-new inhibitor of IKK2 with an IC50 of 790 nM is called IKK-3 Inhibitor (Compound 13).
GSK319347A inhibits the TBK1 enzyme with an IC50 of 93 nM and demonstrates good cell potency at 72 nM. It shows excellent selectivity against cell-cycle kinases CDK2 and AurB. The compound also inhibits IKK2 with an IC50 of 790 nM. As a dual inhibitor of TBK1 and IKKε, it blocks downstream signaling pathways involved in inflammation and tumor progression. |
| ln Vivo |
Specific in vivo activity data for GSK319347A are not detailed in the available sources. As a potent dual inhibitor of TBK1 and IKKε with demonstrated anti-tumor activity in vitro, the compound is expected to have in vivo efficacy in cancer models. It has potential applications in the study of bladder cancer and lung adenocarcinoma. Further in vivo studies are needed to confirm its therapeutic potential.
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| Enzyme Assay |
The TBK1/IKKε kinase inhibition assay for GSK319347A involves incubating the compound with recombinant TBK1 or IKKε kinase, ATP, and a peptide substrate. The reaction is carried out in a kinase buffer optimized for each enzyme. After incubation, the amount of phosphorylated substrate is quantified using a luminescence-based kinase assay (such as ADP-Glo) or a radiometric assay. IC50 values are calculated from dose-response curves generated with varying concentrations of the compound.
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| Cell Assay |
To evaluate the cellular activity of GSK319347A, cancer cell lines (such as bladder cancer or lung adenocarcinoma cells) are seeded in 96-well plates and treated with varying concentrations of the compound. Cell viability is measured using an MTT or CellTiter-Glo assay after 72 hours of treatment. The compound's effect on TBK1/IKKε-mediated signaling can be assessed by measuring the phosphorylation of downstream targets (such as IRF3) using Western blot analysis.
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| Animal Protocol |
Specific in vivo animal experiment protocols for GSK319347A are not detailed in the available sources. As a potential anti-tumor agent, the compound would typically be evaluated in xenograft models using human cancer cell lines implanted subcutaneously into immunodeficient mice. GSK319347A would be administered orally or intraperitoneally, and tumor growth inhibition would be measured. However, specific protocols are not described in the available literature.
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| ADME/Pharmacokinetics |
GSK319347A is soluble in DMSO at 40 mg/mL (85.19 mM). For in vivo studies, it can be formulated in 10% DMSO + 90% Corn Oil at 2 mg/mL. Specific pharmacokinetic parameters (e.g., Cmax, Tmax, half-life, AUC) are not detailed in the available sources. The compound has a molecular weight of 469.53 and is typically stored as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
Specific toxicity data for GSK319347A are not provided in the available sources. As a research compound, it is intended for laboratory use only and is not approved for human therapeutic applications. The compound is a potent inhibitor of TBK1 and IKKε, and its toxicity profile would be expected to reflect its mechanism of action. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarboxylon is a member of the benzimidazole class of compounds.
GSK319347A is also known as IKK-3 Inhibitor and Compound 1. Its chemical name is 5-(5,6-Dimethoxy-1H-benzimidazol-1-yl)-3-[[2-(methylsulfonyl)phenyl]methoxy]-2-thiophenecarbonitrile. It is a selective and potent dual inhibitor of TBK1 and IKKε with potential anti-tumor activity. The compound is supplied for research purposes with a purity of ≥98%. |
| Molecular Formula |
C22H19N3O5S2
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|---|---|
| Molecular Weight |
469.53336
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| Exact Mass |
469.076
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| Elemental Analysis |
C, 56.28; H, 4.08; N, 8.95; O, 17.04; S, 13.66
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| CAS # |
862812-98-4
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| Related CAS # |
862812-98-4
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| PubChem CID |
11626927
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
744.4±70.0 °C at 760 mmHg
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| Flash Point |
404.0±35.7 °C
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| Vapour Pressure |
0.0±2.5 mmHg at 25°C
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| Index of Refraction |
1.658
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| LogP |
2.57
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
797
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N#CC1=C(OCC2C(S(C)(=O)=O)=CC=CC=2)C=C(N2C3C(=CC(=C(C=3)OC)OC)N=C2)S1
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| InChi Key |
LDTAHRLHGHFHKP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3
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| Chemical Name |
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(2-methylsulfonylphenyl)methoxy]thiophene-2-carbonitrile
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| Synonyms |
GSK319347A; IKK-3 Inhibitor; GSK-319347A; IKK-3 Inhibitor; GSK 319347A; IKK 3 Inhibitor
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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: ~45 mg/mL (~95.8 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.25 mg/mL (4.79 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 22.5 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: ≥ 2.25 mg/mL (4.79 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 22.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1298 mL | 10.6489 mL | 21.2979 mL | |
| 5 mM | 0.4260 mL | 2.1298 mL | 4.2596 mL | |
| 10 mM | 0.2130 mL | 1.0649 mL | 2.1298 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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