CDK2-IN-4 is a potent and specific CDK2 inhibitor (antagonist) with IC50 of 44 nM for CDK2/cyclin A, which is 2,000 times more selective than CDK1/cyclin B (IC50=86 μM).

Physicochemical Properties

Molecular Formula	C23H18N6O2S
Molecular Weight	442.493022441864
Exact Mass	442.121
CAS #	2079895-42-2
PubChem CID	123132899
Appearance	Light brown to brown solid powder
LogP	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	32
Complexity	717
Defined Atom Stereocenter Count	0
SMILES	S(C1C=CC(=CC=1)NC1N=C2C(=C(C3C=CC=C(C4C=CC=CC=4)C=3)N=1)NC=N2)(N)(=O)=O
InChi Key	FUGRWXRQJGJIER-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
Chemical Name	4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
Synonyms	CDK2IN73; CDK2 IN 73; CDK2-IN-73
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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]. Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J Med Chem. 2017 Mar 9;60(5):1746-1767.

Solubility Data

Solubility (In Vitro)

DMSO : ~20.83 mg/mL (~47.07 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.70 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.2599 mL	11.2997 mL	22.5994 mL
	5 mM	0.4520 mL	2.2599 mL	4.5199 mL
	10 mM	0.2260 mL	1.1300 mL	2.2599 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.