NU6140 is a selective CDK2-cyclin A inhibitor (IC50, 0.41 μM), which is 10-36 times more selective than other CDKs. NU6140 effectively inhibits the activity of Aurora A and Aurora B with IC50s of 67 and 35 nM, respectively. Enhance the effect of inducing apoptosis and anti-tumor effect.

Physicochemical Properties

Molecular Formula	C23H30N6O2
Molecular Weight	422.52
Exact Mass	422.243
Elemental Analysis	C, 65.38; H, 7.16; N, 19.89; O, 7.57
CAS #	444723-13-1
Related CAS #	444723-13-1
PubChem CID	10202471
Appearance	White to light yellow solid powder
LogP	4.61
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	31
Complexity	560
Defined Atom Stereocenter Count	0
SMILES	CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)N=CN3
InChi Key	XHEQSRJCJTWWAH-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)
Chemical Name	4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N,N-diethylbenzamide
Synonyms	NU 6140; NU-6140; NU6140
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	cdk2-cyclin A (IC50 = 0.41 μM);CDK1-Cyclin B (IC50 = 6.6 μM); CDK4-Cyclin D (IC50 = 5.5 μM); cdk5-p25 (IC50 = 15 μM); cdk7-cyclin H (IC50 = 3.9 μM); Aurora A (IC50 = 67 nM); Aurora B (IC50 = 35 nM)
ln Vitro	NU6140 has IC50 values of 6.6, 5.5, 15, and 3.9 μM for CDK1-cyclin B, CDK4-cyclin D, CDK5-p25, and CDK7-cyclin H, respectively, indicating that it is less active than other cyclins. NU6140 causes an increase in the sub-G1 apoptotic cell population and increases the catalytic activity of capases-9 and-3[1].
References	[1]. Potentiation of apoptosis by the novel cyclin-dependent kinase inhibitor NU6140: a possible role for survivin down-regulation. Mol Cancer Ther. 2005 Sep;4(9):1328-37. [2]. How Selective Are Pharmacological Inhibitors of Cell-Cycle-Regulating Cyclin-Dependent Kinases? Med Chem. 2018 Oct 25;61(20):9105-9120.

Solubility Data

Solubility (In Vitro)

DMSO: ~250 mg/mL (591.7 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.92 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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 2: ≥ 2.08 mg/mL (4.92 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	2.3668 mL	11.8338 mL	23.6675 mL
	5 mM	0.4734 mL	2.3668 mL	4.7335 mL
	10 mM	0.2367 mL	1.1834 mL	2.3668 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.