CK2/ERK8-IN-1 is a dual (bifunctional) inhibitor of casein kinase 2 (CK2) (Ki 0.25 µM) and ERK8 (MAPK15, ERK7), both with IC50 0.50 µM. CK2/ERK8-IN-1 also binds to PIM1, HIPK2 and DYRK1A with Kis of 8.65 µM, 15.25 µM and 11.9 µM respectively. CK2/ERK8-IN-1 has a pro-apoptotic effect.

Physicochemical Properties

Molecular Formula	C11H9BR4N3O2
Molecular Weight	534.824059247971
Exact Mass	534.738
CAS #	1085822-09-8
PubChem CID	46943415
Appearance	White to off-white solid powder
LogP	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Complexity	387
Defined Atom Stereocenter Count	0
SMILES	BrC1=C(C(=C(C2=C1N(CC(=O)O)C(=N2)N(C)C)Br)Br)Br
InChi Key	PHAOTASRLQMKBE-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
Chemical Name	2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid
Synonyms	CK2/ERK8IN1; CK2/ERK8 IN 1
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	Jurkat cells treated with CK2/ERK8-IN-1 (Compound K66; 0-50 µM; 24 hours) exhibited cytotoxic action [1].
Cell Assay	Cell Viability Assay[1] Cell Types: Jurkat Cell Tested Concentrations: 0-50 µM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibition of cell growth in a dose-dependent manner.
References	[1]. The selectivity of inhibitors of protein kinase CK2: an update. Biochem J. 2008 Nov 1;415(3):353-65.

Solubility Data

Solubility (In Vitro)

DMSO : ~16.67 mg/mL (~31.17 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 1.67 mg/mL (3.12 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 16.7 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: 1.67 mg/mL (3.12 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 16.7 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: ≥ 1.67 mg/mL (3.12 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 16.7 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	1.8698 mL	9.3489 mL	18.6979 mL
	5 mM	0.3740 mL	1.8698 mL	3.7396 mL
	10 mM	0.1870 mL	0.9349 mL	1.8698 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.