CDK9-IN-1 is a novel, potent CDK9 inhibitor (antagonist) with IC50 of 39 nM against CDK9/CycT1, used to study viral infections.

Physicochemical Properties

Molecular Formula	C26H21N5O4S
Molecular Weight	499.541043996811
Exact Mass	499.131
CAS #	1415559-43-1
PubChem CID	66577006
Appearance	White to off-white solid powder
LogP	5.659
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	36
Complexity	900
Defined Atom Stereocenter Count	0
InChi Key	CKUFOBCNTCLXJP-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H21N5O4S/c1-16-10-11-18(13-22(16)30-36(2,34)35)29-24-14-23(27-15-28-24)17-6-5-7-19(12-17)31-25(32)20-8-3-4-9-21(20)26(31)33/h3-15,30H,1-2H3,(H,27,28,29)
Chemical Name	N-[5-[[6-[3-(1,3-dioxoisoindol-2-yl)phenyl]pyrimidin-4-yl]amino]-2-methylphenyl]methanesulfonamide
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	CDK9-IN-1 is a strong CDK9 inhibitor with excellent activity against HIV-1 replication [1].
References	[1]. Novel, selective CDK9 inhibitors for the treatment of HIV infection. Curr Med Chem. 2011;18(3):342-358.
Additional Infomation	N-[5-[[6-[3-(1,3-dioxo-2-isoindolyl)phenyl]-4-pyrimidinyl]amino]-2-methylphenyl]methanesulfonamide is a member of pyrimidines.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~200.18 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.00 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 25.0 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	2.0018 mL	10.0092 mL	20.0184 mL
	5 mM	0.4004 mL	2.0018 mL	4.0037 mL
	10 mM	0.2002 mL	1.0009 mL	2.0018 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.