VRK-IN-1 is a potent and specific inhibitor of vaccinia-related kinase 1 (VRK1) with IC50 of 150 nM. VRK1 is a human Ser/Thr protein kinase associated with increased cell division and neurological diseases.

Physicochemical Properties

Molecular Formula	C18H11F4NO2
Molecular Weight	349.2791
Exact Mass	349.072
CAS #	2378855-09-3
PubChem CID	155511407
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	25
Complexity	433
Defined Atom Stereocenter Count	0
SMILES	FC1C(=C(C([H])=C(C=1[H])C1=C(C([H])([H])[H])N=C([H])C(C2C([H])=C(C(=C(C=2[H])F)O[H])F)=C1[H])F)O[H]
InChi Key	PMRGRXLXKYUDIH-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3
Chemical Name	4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methylpyridin-3-yl]-2,6-difluorophenol
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: 150 nM (VRK1)[1]
ln Vitro	VRK-IN-1 binds 190 nM to VRK1-FL through an enthalpy-driven mechanism[1]. ?Human HeLa cells are slightly less viable at 3.2 μM when treated with VRK-IN-1 (0.4-25 μM; 24 h)[1].
References	[1]. Development of Pyridine-based Inhibitors for the Human Vaccinia-related Kinases 1 and 2. ACS Med Chem Lett. 2019 Aug 19;10(9):1266-1271.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (286.30 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.16 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 25.0 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	2.8630 mL	14.3152 mL	28.6303 mL
	5 mM	0.5726 mL	2.8630 mL	5.7261 mL
	10 mM	0.2863 mL	1.4315 mL	2.8630 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.