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Tankyrase-IN-2

CAT: 0931-T13078-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13078-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1588870-36-3
Target
PARP, Wnt/beta-catenin
Related Pathways
DNA Damage/DNA Repair, Stem Cells, Cytoskeletal Signaling, Chromatin/Epigenetic
Bioactivity
Tankyrase-IN-2 is a selective, potent and orally active inhibitor of tankyrase with IC50s of 10, 7, and 710 nM for TNKS1, TNKS2 as well as PARP1, respectively
Smiles
CC(C)(O)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1
Molecular Formula
C17H14F2N2O2
Molecular Weight
316.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tankyrase-IN-2
CAS Number1588870-36-3
PubChem CID136236981
IUPAC Name6,8-difluoro-2-[4-(2-hydroxypropan-2-yl)phenyl]-3H-quinazolin-4-one
Molecular FormulaC17H14F2N2O2
Molecular Weight316.30
XLogP2.3
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity501
SMILES
CC(C)(C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)C(=O)N2)O
InChI
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)
InChIKey
FHBYLOWAINBPRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tankyrase-IN-2
CAS: 1588870-36-3
CID: 136236981
Formula: C17H14F2N2O2
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass316.10233402
Monoisotopic Mass316.10233402
Topological Polar Surface Area61.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA4387-10Tankyrase-IN-2
550120Tankyrase 2
R34273-100UGTankyrase 2 Antibody
GTR18913654Tankyrase 2 Peptide
A19092-100Tankyrase-IN-2 100mg
A19092-50Tankyrase-IN-2 50mg
A19092-25Tankyrase-IN-2 25mg
A19092-10Tankyrase-IN-2 10mg
A19092-5Tankyrase-IN-2 5mg
A19092-1Tankyrase-IN-2 1mg

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