IRAK inhibitor 1IRAK-4 inhibitor CAS# 1042224-63-4 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1042224-63-4 | SDF | Download SDF |
| PubChem ID | 44449078 | Appearance | Powder |
| Formula | C17H19N5 | M.Wt | 293.37 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 12.2 mg/mL (41.59 mM; Need ultrasonic and warming) | ||
| Chemical Name | 6-imidazo[1,2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine | ||
| SMILES | C1CNCCC1NC2=CC=CC(=N2)C3=CN=C4N3C=CC=C4 | ||
| Standard InChIKey | HUYUPQNBDBTPQQ-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21) | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | IRAK inhibitor 1 is an inhibitor of interleukin-1 receptor associated kinase 4 (IRAK-4). | |||||
| Targets | IRAK-4 | |||||
IRAK inhibitor 1 Dilution Calculator
IRAK inhibitor 1 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 3.4087 mL | 17.0433 mL | 34.0866 mL | 68.1733 mL | 85.2166 mL |
| 5 mM | 0.6817 mL | 3.4087 mL | 6.8173 mL | 13.6347 mL | 17.0433 mL |
| 10 mM | 0.3409 mL | 1.7043 mL | 3.4087 mL | 6.8173 mL | 8.5217 mL |
| 50 mM | 0.0682 mL | 0.3409 mL | 0.6817 mL | 1.3635 mL | 1.7043 mL |
| 100 mM | 0.0341 mL | 0.1704 mL | 0.3409 mL | 0.6817 mL | 0.8522 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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IC50: 35 nM for IRAK-4
The interleukin-1 receptor associated kinase (IRAK) family is comprised of four family members IRAK-1, IRAK-2, IRAK-3/M, and IRAK-4. Upon activation of their upstream cognate receptors, IRAK-4 is thought to phosphorylate IRAK-1 resulting in the activation and autophosphorylation of IRAK-1 an subsequent phosphorylation of downstream substrates. IRAK inhibitor 1 is an inhibitor of interleukin-1 receptor associated kinase 4 (IRAK-4).
In vitro: The regioisomeric pyridines IRAK inhibitor 1 (6) and it analogue (7) showed contrasting SAR, with the 2,6-pyridine isomer IRAK inhibitor 1 having low-nanomolar potency whilst the 2,4-pyridine isomer 7 showed little activity, despite having a more accessible bidentate-binding motif. At 10 μM, IRAK inhibitor 1 was found to have 39% inhibition for JNK-1 and 15% inhibition for JNK-2, respectivley [1].
In vivo: No animal in-vivo data available currently IRAK inhibitor 1 and its analogues.
Clinical trial: IRAK inhibitor 1 is currently in the preclinical development stage and no clinical data are available.
Reference:
[1] Buckley GM, Ceska TA, Fraser JL, Gowers L, Groom CR, Higueruelo AP, Jenkins K, Mack SR, Morgan T, Parry DM, Pitt WR, Rausch O, Richard MD, Sabin V. IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding. Bioorg Med Chem Lett. 2008;18(11):3291-5.
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Quantitative structure-activity relationship (QSAR) study of interleukin-1 receptor associated kinase 4 (IRAK-4) inhibitor activity by the genetic algorithm and multiple linear regression (GA-MLR) method.[Pubmed:20429783]
J Enzyme Inhib Med Chem. 2010 Dec;25(6):844-53.
A linear quantitative structure-activity relationship (QSAR) model is presented for the modelling and prediction for the interleukin-1 receptor associated kinase 4 (IRAK-4) inhibition activity of amides and imidazo[1,2-alpha] pyridines. The model was produced using the multiple linear regression (MLR) technique on a database that consisted of 65 recently discovered amides and imidazo[1,2- alpha] pyridines. Among the different constitutional, topological, geometrical, electrostatic and quantum-chemical descriptors that were considered as inputs to the model, seven variables were selected using the genetic algorithm subset selection method (GA). The accuracy of the proposed MLR model was illustrated using the following evaluation techniques: cross-validation, validation through an external test set, and Y-randomisation. The predictive ability of the model was found to be satisfactory and could be used for designing a similar group of compounds.
