GAK inhibitor 49 is an ATP-competitive, novel cyclin G-associated kinase (GAK) inhibitor with a Ki of 0.54 nM and a cellular IC50 of 56 nM. GAK inhibitor 49 has also been shown to bind to RIPK2.

Physicochemical Properties

Molecular Formula	C20H22N2O5
Molecular Weight	370.399
Exact Mass	370.15
CAS #	319492-82-5
PubChem CID	5330475
Appearance	White to off-white solid powder
LogP	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Complexity	440
Defined Atom Stereocenter Count	0
SMILES	COC1C(OC)=CC2=C(C(NC3C=C(OC)C(OC)=C(OC)C=3)=CC=N2)C=1
InChi Key	VYPGLYMWNDRFGZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H22N2O5/c1-23-16-10-13-14(6-7-21-15(13)11-17(16)24-2)22-12-8-18(25-3)20(27-5)19(9-12)26-4/h6-11H,1-5H3,(H,21,22)
Chemical Name	6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
Synonyms	GAK inhibitor 49
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	GAK ( IC50 = 56 nM )
ln Vitro	Compound 49, also known as GAK inhibitor 49, exhibits a mild inhibitory action on AAK1, BMP2K, and STK16, with IC50 values of >100 μM, 28, 63, and >100 μM, respectively[1].
References	[1]. Identification and Optimization of 4-Anilinoquinolines as Inhibitors of Cyclin G Associated Kinase. ChemMedChem. 2018;13(1):48-66.

Solubility Data

Solubility (In Vitro)

DMSO : 50~74 mg/mL (135~133.8 mM) Ethanol : ~6 mg/mL (~16.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.62 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 (5.62 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (5.62 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 20.8 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	2.6998 mL	13.4989 mL	26.9978 mL
	5 mM	0.5400 mL	2.6998 mL	5.3996 mL
	10 mM	0.2700 mL	1.3499 mL	2.6998 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.