AZ5576 is a potent and selective CDK9 inhibitor (IC50= <5 nM). AZ5576 may be utilized in study/research of hematological malignancies.

Physicochemical Properties

Molecular Formula	C21H24FN3O3
Molecular Weight	385.43
Exact Mass	385.18
Elemental Analysis	C, 65.44; H, 6.28; F, 4.93; N, 10.90; O, 12.45
CAS #	2751721-40-9
Related CAS #	1333468-12-4 (1R3S-isomer);2751721-40-9 (1S3R-isomer);1333468-05-5 (racemate);
PubChem CID	53373586
Appearance	White to off-white solid powder
LogP	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	547
Defined Atom Stereocenter Count	2
SMILES	O(C1C=C(F)C=CC=1C1=CC=NC(NC([C@H]2CCC[C@@H](NC(=O)C)C2)=O)=C1)C
InChi Key	QNWXRLPZIFMTBK-DOTOQJQBSA-N
InChi Code	InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
Chemical Name	(1S,3R)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]cyclohexane-1-carboxamide
Synonyms	AZ-5576AZ5576AZ 5576
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

References

[1]. Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~324.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.40 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 20.8 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: ≥ 2.08 mg/mL (5.40 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	2.5945 mL	12.9725 mL	25.9450 mL
	5 mM	0.5189 mL	2.5945 mL	5.1890 mL
	10 mM	0.2595 mL	1.2973 mL	2.5945 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.