CDDD11-8 is an orally active, selective inhibitor of CDK9 and FLT3-ITD with Ki values of 8 and 13 nM, respectively. CDDD11-8 reduces proliferation of leukemia cell lines and is particularly effective against those harboring FLT3-ITD mutations.

Physicochemical Properties

Molecular Formula	C24H26N6
Molecular Weight	398.503444194794
Exact Mass	398.221
CAS #	2241659-94-7
PubChem CID	135301300
Appearance	Off-white to light brown solid powder
LogP	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Complexity	544
Defined Atom Stereocenter Count	0
InChi Key	OVOYRPVIZNJKHS-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H26N6/c1-16-13-27-24(28-20-10-8-19(25)9-11-20)29-23(16)21-14-26-22-12-7-18(15-30(21)22)17-5-3-2-4-6-17/h2-7,12-15,19-20H,8-11,25H2,1H3,(H,27,28,29)
Chemical Name	4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
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	CDK9 8 nM (Ki)
ln Vitro	CDDD11-8 (0-3 μM, 24 hours) inhibits the expression of c-MYC, MCL-1 and XIAP in MV4-11 and MOLM-13 cells [1]. CDDD11-8 dose-dependently inhibits proliferation (IC50 range: 281-734 nM), induces cell cycle arrest, and increases apoptosis in cell lines [2].
ln Vivo	CDDD11-8 (0-125 mg/kg, orally, daily) can induce tumor regression [1].
Animal Protocol	Animal/Disease Models: MV4-11 tumor-bearing mice[1] Doses: 75 or 125 mg/kg Route of Administration: PO, daily for 5 or 28 days Experimental Results: Induced tumor regression. Potently inhibited the phosphorylation of RNAPII at Ser2 and Ser5, confirming the inhibition of CDK9 in vivo. Reduced phosphorylation of FLT3 at Tyr591 and STAT5 at Tyr 694.
References	[1].An Orally Bioavailable and Highly Efficacious Inhibitor of CDK9/FLT3 for the Treatment of Acute Myeloid Leukemia. Cancers (Basel). 2022 Feb 22;14(5):1113. [2].Selective inhibition of CDK9 in triple negative breast cancer. Oncogene. 2023 Nov 24.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~250.94 mM; with sonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.27 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 and add it to 400 μL PEG300 and mix well. Then add 50 μL Tween-80 to the above system and mix well. Then continue to add 450 μL of physiological saline to make up 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	2.5094 mL	12.5471 mL	25.0941 mL
	5 mM	0.5019 mL	2.5094 mL	5.0188 mL
	10 mM	0.2509 mL	1.2547 mL	2.5094 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.