IRAK4-IN-4, extracted from patent CN107163044A, Compound15, is a novel and potent inhibitor of interleukin-1 receptor–associated kinase 4 (IRAK4) with an IC50 of 2.8 nM. IRAK4-IN-4 also inhibits cyclic GMP-AMP synthase (cGAS) with an IC50 of 2.1 nM

Physicochemical Properties

Molecular Formula	C22H16N2O2
Molecular Weight	340.374645233154
Exact Mass	340.121
CAS #	1850276-58-2
PubChem CID	145712357
Appearance	Light yellow to yellow solid powder
LogP	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	522
Defined Atom Stereocenter Count	0
SMILES	O=C(C(C1C=CC=CC=1)=O)C1=C(C2C=CC=CC=2)N=C2C=C(C)C=CN12
InChi Key	AHNNWZOVCRQAAH-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H16N2O2/c1-15-12-13-24-18(14-15)23-19(16-8-4-2-5-9-16)20(24)22(26)21(25)17-10-6-3-7-11-17/h2-14H,1H3
Chemical Name	1-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
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

References

[1]. One class has the naphthalene second dione compounds and its derivative of protease modification activities. CN107163044A.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~73.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.25 mg/mL (6.61 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 22.5 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: ≥ 2.25 mg/mL (6.61 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 22.5 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. Solubility in Formulation 3: ≥ 2.25 mg/mL (6.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 22.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9380 mL	14.6899 mL	29.3798 mL
	5 mM	0.5876 mL	2.9380 mL	5.8760 mL
	10 mM	0.2938 mL	1.4690 mL	2.9380 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.