Casein Kinase II Inhibitor IV is a potent ATP-competitive casein kinase II inhibitor (antagonist) with IC50 of 9 nM. Casein Kinase II Inhibitor IV is also a human keratinocyte (NHEK) differentiation inducer.

Physicochemical Properties

Molecular Formula	C24H23N5O3
Molecular Weight	429.47112
Exact Mass	429.18
CAS #	863598-09-8
Related CAS #	Casein Kinase II Inhibitor IV hydrochloride;2320347-54-2
PubChem CID	11453158
Appearance	Light yellow to yellow solid powder
LogP	4.719
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	32
Complexity	628
Defined Atom Stereocenter Count	0
InChi Key	KKVZKYOBQGDKIB-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H23N5O3/c1-30-20-13-18(14-21(31-2)22(20)32-3)27-24-26-15-17-9-11-29(23(17)28-24)19-8-4-6-16(12-19)7-5-10-25/h4,6,8-9,11-15H,5,7H2,1-3H3,(H,26,27,28)
Chemical Name	3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
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

After 48 hours, the early differentiation markers keratin 1 and 10 were upregulated in human epidermal keratinocytes (NHEK) treated with casein kinase II inhibitor IV. Cells treated with IV casein kinase II inhibitor showed increased levels of IVL and TGM for 72 hours, and these levels continued for 96 hours. Additionally, at later times, treatment with casein kinase II inhibitor IV led to the production of loricrin, a hallmark of final differentiation. When NHEK was treated with casein kinase II inhibitor IV, messenger RNA (mRNA) expression study revealed similar outcomes. Treatment with casein kinase II inhibitor IV upregulated keratinocyte early differentiation marker genes, such as keratin 1 (5.4-fold) and keratin 10 (5.4-fold), at early time points (12 and 24 hours). At later times (36 and 48 hours), there was an upregulation of terminal differentiation marker genes, such as IVL (1.8-fold), TGM 1 (4.8-fold), loricrin (3.3-fold), and filaggrin (5.6-fold). These findings confirm that casein kinase II inhibitor IV can stimulate epidermal progenitor cells to develop into terminally differentiated keratinocytes [1].

References

[1]. Identification and characterization of small-molecule inducers of epidermal keratinocyte differentiation. ACS Chem Biol. 2007 Mar 20;2(3):171-5.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~77.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 25.0 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3285 mL	11.6423 mL	23.2845 mL
	5 mM	0.4657 mL	2.3285 mL	4.6569 mL
	10 mM	0.2328 mL	1.1642 mL	2.3285 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.