IRAK inhibitor 6

• CAT Number: I000246
• CAS Number: 1042672-97-8
• Molecular Formula: C20H20N4O3S
• Molecular Weight: 396.46
• Purity: ≥95%
• Target: IRAK
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
• InChI: InChI=1S/C20H20N4O3S/c1-26-18-11-15(24-7-9-27-10-8-24)4-5-16(18)22-19(25)17-13-28-20(23-17)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,22,25)
• InChIKey: JQSRUVXPODZKAF-UHFFFAOYSA-N
• SMILES: COC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CSC(=N3)C4=CN=CC=C4

IRAK inhibitor 6（Cat No.:I000246） is a selective Interleukin-1 receptor-associated kinase 4(IRAK4) inhibitor with IC50 of 0.16 μM. If you need, please contact us in time, and we will reply to you as soon as possible within 24 hours.

Reference

[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 By Pourbasheer, Eslam; Riahi, Siavash; Ganjali, Mo December 2010, Vol. 25, No. 6 , Pages 844-853 (doi:10.3109/14756361003757893)
Abstract
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-α] 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- α] 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./