Tankyrase-IN-2 is a novel and potent tankyrase inhibitor with anticancer activity. It inhibits TNKS1, TNKS2 as well as PARP1 with IC50s of 10, 7, and 710 nM, respectively.

Physicochemical Properties

Molecular Formula	C17H14F2N2O2
Molecular Weight	316.302071094513
Exact Mass	316.102
CAS #	1588870-36-3
PubChem CID	136236981
Appearance	White to off-white solid powder
LogP	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	23
Complexity	501
Defined Atom Stereocenter Count	0
SMILES	FC1=CC(=CC2C(NC(C3C=CC(=CC=3)C(C)(C)O)=NC=21)=O)F
InChi Key	FHBYLOWAINBPRJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H14F2N2O2/c1-17(2,23)10-5-3-9(4-6-10)15-20-14-12(16(22)21-15)7-11(18)8-13(14)19/h3-8,23H,1-2H3,(H,20,21,22)
Chemical Name	6,8-difluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
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	Tankyrase-IN-2 (1-10000 nM; 24 hours) generates a dose-dependent increase in Tankyrase protein abundance in DLD1 cells with an EC50 of 320 nM. This is in the same potency range as the increase in axin2 (EC50=319 nM) [1].
References	[1]. Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective TankyraseInhibitor Modulating Wnt Pathway Activity. J Med Chem. 2019 Aug 5.

Solubility Data

Solubility (In Vitro)

DMSO : ~83.33 mg/mL (~263.45 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.58 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	3.1616 mL	15.8078 mL	31.6156 mL
	5 mM	0.6323 mL	3.1616 mL	6.3231 mL
	10 mM	0.3162 mL	1.5808 mL	3.1616 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.