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1588870-36-3

1588870-36-3 Structure

1588870-36-3 Structure
IdentificationBack Directory
[Name]

Tankyrase-IN-2
[CAS]

1588870-36-3
[Synonyms]

Tankyrase-IN-2
TankyraseIN2,Tankyrase IN 2
4(3H)-Quinazolinone, 6,8-difluoro-2-[4-(1-hydroxy-1-methylethyl)phenyl]-
[Molecular Formula]

C17H14F2N2O2
[MDL Number]

MFCD32197230
[MOL File]

1588870-36-3.mol
[Molecular Weight]

316.3
Chemical PropertiesBack Directory
[Boiling point ]

466.3±55.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 10mg/mL; DMSO: 10mg/mL; Ethanol: 10mg/mL; Ethanol:PBS (pH 7.2) (1:30): 0.025mg/mL
[form ]

A crystalline solid
[pka]

13.89±0.29(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Tankyrase-IN-2 (compound 5k) is a potent, selective, and orally active tankyrase inhibitor (IC50s of 10, 7, and 710 nM for TNKS1, TNKS2 as well as PARP1, respectively). Tankyrase-IN-2 has favorable physicochemical profile and pharmacokinetic properties modulating Wnt pathway activity in a colorectal xenograft model[1].
[References]

[1] Buchstaller HP, et al. Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective TankyraseInhibitor Modulating Wnt Pathway Activity. J Med Chem. 2019 Aug 5. DOI:10.1021/acs.jmedchem.9b00656
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