CDK9-IN-2 is a specific CDK9 inhibitor. For more details, check and find the compound CDKI(8) in patent WO/2012131594A1. CDK9-IN-2 targets H929 multiple myeloma (MM) cell line (72 hours) and A2058 melanoma cell line (72 hours) with IC50 of 5 nM and 7 nM, respectively.

Physicochemical Properties

Molecular Formula	C23H25CLFN5
Molecular Weight	425.9364
Exact Mass	425.178
CAS #	1263369-28-3
PubChem CID	49855228
Appearance	Light yellow to yellow solid powder
LogP	6.076
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	30
Complexity	518
Defined Atom Stereocenter Count	0
InChi Key	XKHXPTSUVPZYDW-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H25ClFN5/c24-20-14-28-23(29-18-9-7-17(26)8-10-18)12-19(20)21-5-2-6-22(30-21)27-13-15-3-1-4-16(25)11-15/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)
Chemical Name	4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
Synonyms	CDK9-In-2; CDK9 Inhibitor 2; CDK9 Inhibitor II
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	MEPCE expression is decreased by CDK9-IN-2 (200 nM), suggesting that MEPCE is a pharmacodynamic (PD) marker for all CDK9 inhibitors. Following treatment, MCL1 protein expression declined for two hours, and this reduction continued for sixteen hours following exposure to 500 nM CDK9-IN-2 [1].
References	[1]. Pharmacodynamic markers associated with cyclin-dependent kinase inhibitors. From PCT Int. Appl. (2012), WO 2012131594A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~117.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.87 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 25.0 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 3: ≥ 2.5 mg/mL (5.87 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	2.3477 mL	11.7387 mL	23.4775 mL
	5 mM	0.4695 mL	2.3477 mL	4.6955 mL
	10 mM	0.2348 mL	1.1739 mL	2.3477 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.