CDK-IN-6, a class of pyrazolo[1,5-a]pyrimidine compounds, is a CDK inhibitor (antagonist) with anti-cancer effect.

Physicochemical Properties

Molecular Formula	C21H28N6O
Molecular Weight	380.49
Exact Mass	380.232
CAS #	779353-02-5
PubChem CID	25234813
Appearance	Light yellow to brown solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.673
LogP	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	28
Complexity	480
Defined Atom Stereocenter Count	1
SMILES	CCC1=C2N=C(C=C(N2N=C1)NCC3=CN=CC=C3)N4CCCC[C@H]4CCO
InChi Key	FWKFUJKFJMIJDX-SFHVURJKSA-N
InChi Code	InChI=1S/C21H28N6O/c1-2-17-15-24-27-19(23-14-16-6-5-9-22-13-16)12-20(25-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12-13,15,18,23,28H,2-4,7-8,10-11,14H2,1H3/t18-/m0/s1
Chemical Name	2-[(2S)-1-[3-ethyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
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	Individual CDKs, including CDK1, CDK2, CDK3, CDK4, CDK5, CDK6 and CDK7, CDK8, and so on, can be categorized as G1, S, or G2M phase enzymes and play specific roles in the advancement of the cell cycle. Cancer cells are known for their unchecked proliferation, and many significant solid tumors frequently have CDK function misregulation[1].
References	[1]. Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors. US20040209878A1.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (131.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.57 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	2.6282 mL	13.1409 mL	26.2819 mL
	5 mM	0.5256 mL	2.6282 mL	5.2564 mL
	10 mM	0.2628 mL	1.3141 mL	2.6282 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.