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IRAK inhibitor 1

IRAK-4 inhibitor CAS# 1042224-63-4

IRAK inhibitor 1

Catalog No. BCC1654----Order now to get a substantial discount!

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Chemical structure

IRAK inhibitor 1

3D structure

Chemical Properties of IRAK inhibitor 1

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.
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.
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.

Biological Activity of IRAK inhibitor 1

DescriptionIRAK inhibitor 1 is an inhibitor of interleukin-1 receptor associated kinase 4 (IRAK-4).
TargetsIRAK-4    

IRAK inhibitor 1 Dilution Calculator

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IRAK inhibitor 1 Molarity Calculator

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Preparing Stock Solutions of IRAK inhibitor 1

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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Background on IRAK inhibitor 1

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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References on IRAK inhibitor 1

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.

Description

IRAK inhibitor 1 is a potent IRAK-4 inhibitor with IC50 of 216 nM, is poorly active against JNK-1 and JNK-2 with IC50 of 3.801 μM, and >10 μM, respectively.

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