IRAK inhibitor 4IRAK inhibitor CAS# 1012104-68-5 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 1012104-68-5 | SDF | Download SDF |
PubChem ID | 24797387 | Appearance | Powder |
Formula | C33H35F3N6O3 | M.Wt | 620.66 |
Type of Compound | N/A | Storage | Desiccate at -20°C |
Solubility | Soluble in DMSO | ||
Chemical Name | 1-(4-hydroxycyclohexyl)-N-(3-methylbutyl)-2-[[5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]amino]benzimidazole-5-carboxamide | ||
SMILES | CC(C)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)NC3=NNC4=C3C=C(C=C4)C5=CC=CC=C5OC(F)(F)F)C6CCC(CC6)O | ||
Standard InChIKey | QZMAOGLWCNTFCG-UHFFFAOYSA-N | ||
Standard InChI | InChI=1S/C33H35F3N6O3/c1-19(2)15-16-37-31(44)21-8-14-28-27(18-21)38-32(42(28)22-9-11-23(43)12-10-22)39-30-25-17-20(7-13-26(25)40-41-30)24-5-3-4-6-29(24)45-33(34,35)36/h3-8,13-14,17-19,22-23,43H,9-12,15-16H2,1-2H3,(H,37,44)(H2,38,39,40,41) | ||
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 4 is an inhibitor of interleukin- 1 receptor-associated kinase. | |||||
Targets | IRAK |
IRAK inhibitor 4 Dilution Calculator
IRAK inhibitor 4 Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 1.6112 mL | 8.0559 mL | 16.1119 mL | 32.2238 mL | 40.2797 mL |
5 mM | 0.3222 mL | 1.6112 mL | 3.2224 mL | 6.4448 mL | 8.0559 mL |
10 mM | 0.1611 mL | 0.8056 mL | 1.6112 mL | 3.2224 mL | 4.028 mL |
50 mM | 0.0322 mL | 0.1611 mL | 0.3222 mL | 0.6445 mL | 0.8056 mL |
100 mM | 0.0161 mL | 0.0806 mL | 0.1611 mL | 0.3222 mL | 0.4028 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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IRAK inhibitor 4 is an inhibitor of interleukin- 1 receptor-associated kinase [1].
IRAK-4 belongs to Interleukin-1 Receptor-Associated Kinase, which are key components in the signal transduction pathways. IRAK-4 is an essential signal transducer downstream of interleukin-1 receptor (IL-1R), interleukin-18 receptor (IL-18R) and Toll-like receptors (TLRs). Inhibition of IRAK-4 can modulate its function, thus toning down inflammatory responses. IRAK inhibitor 4 is an indazole inhibitor. As inhibitors of IRAK-4, imidazo[1,2-b]pyridazines and indazoles are used for treatment of some inflammatory, cell proliferative and immune-related disorders [1].
References:
[1] Zhulun Wang, Holger Wesche, Tracey Stevens, Nigel Walker and Wen-Chen Yeh. IRAK-4 Inhibitors for Inflammation. Current Topics in Medicinal Chemistry. 2009, 9: 724-737.
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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.