IRAK-IN-6, formerly known as IRAK inhibitor 6, is an interleukin-1 receptor associated kinase 4 (IRAK-4) inhibitor. IRAK-4 is reported to be essential for the activation of the intracellular signalling cascades including NFКB and MAPK pathways, which are critical for the production of inflammatory cytokines.

Physicochemical Properties

Molecular Formula	C20H20N4O3S
Molecular Weight	396.46
Exact Mass	396.125
CAS #	1042672-97-8
Related CAS #	1042672-97-8;
PubChem CID	44449392
Appearance	Light brown to brown solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.652
LogP	1.59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	520
Defined Atom Stereocenter Count	0
InChi Key	JQSRUVXPODZKAF-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	N-[2-Methoxy-4-(4-morpholinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
Synonyms	IRAK-IN-6 IRAK IN 6 IRAKIN6 IRAK inhibitor 6
HS Tariff Code	2934.99.9001
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)

Biological Activity

ln Vitro	IRAK inhibitor 6 is the most potent of these drugs tested; potency additive, IRAK inhibitor 6 considerably improves potency against IRAK-4 [1].
References	[1]. IRAK-4 inhibitors. Part 1: a series of amides. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3211-4.

Solubility Data

Solubility (In Vitro)

DMSO : ~8.33 mg/mL (~21.01 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.83 mg/mL (2.09 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 + to the above solution and mix evenly; then add 450 μL of 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5223 mL	12.6116 mL	25.2232 mL
	5 mM	0.5045 mL	2.5223 mL	5.0446 mL
	10 mM	0.2522 mL	1.2612 mL	2.5223 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.