IRAK4-IN-6 is an oral, potent and specific IRAK inhibitor (antagonist) with IC50 of 4 nM, targeting MyD88 L265P mutant diffuse large B-cell lymphoma.

Physicochemical Properties

Molecular Formula	C25H32N10O2
Molecular Weight	504.59
Exact Mass	504.27
CAS #	2454244-02-9
PubChem CID	139582017
Appearance	Light yellow to yellow solid powder
Density	1.43±0.1 g/cm3(Predicted)
Boiling Point	741.4±70.0 °C(Predicted)
LogP	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	37
Complexity	807
Defined Atom Stereocenter Count	0
InChi Key	RPGMSHCJIWHISY-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H32N10O2/c1-33-16-19(15-27-33)30-24-31-21-8-5-18(9-10-26)28-22(21)23(32-24)29-17-3-6-20(7-4-17)34-11-13-35(14-12-34)25(36)37-2/h5,8,15-17,20H,3-4,6-7,9,11-14H2,1-2H3,(H2,29,30,31,32)
Chemical Name	methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
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

Targets	IC50: 4 nM (IRAK4)[1]
References	[1]. Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors TargetingMyD88L265P Mutant Diffuse Large B Cell Lymphoma. J Med Chem. 2019 Nov 1.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (247.73 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.12 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline 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	1.9818 mL	9.9090 mL	19.8181 mL
	5 mM	0.3964 mL	1.9818 mL	3.9636 mL
	10 mM	0.1982 mL	0.9909 mL	1.9818 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.