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XAV939

CAT: 1410-M13863-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M13863-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XAV-939 selectively inhibits Wnt/β-catenin-mediated transcription through tankyrase1/2 inhibition with IC50 of 11 nM/4 nM in cell-free assays.
CAS Number
284028-89-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
312.31
Molecular Formula
C14H11F3N2OS
Notes
Research use only, not for human use.
Receptor
TNKS1| TNKS2

Chemical Information

Xav-939

XAV939 is a thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. It has a role as a tankyrase inhibitor. It is a thiopyranopyrimidine and a member of (trifluoromethyl)benzenes.

CAS Number284028-89-3
PubChem CID135418940
IUPAC Name2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one
Molecular FormulaC14H11F3N2OS
Molecular Weight312.31
XLogP2.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity505
SMILES
C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
InChIKey
KLGQSVMIPOVQAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xav-939
CAS: 284028-89-3
CID: 135418940
Formula: C14H11F3N2OS
MW: 312.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.31
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass312.05441864
Monoisotopic Mass312.05441864
Topological Polar Surface Area66.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity505
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

Alternative Products

CatalogName
MBS696330-01XAV939
MBS6096554-01XAV939 (3,5,7,8-Tetrahydro-2-[4- (trifluoromethyl) phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one)
X0986-25XAV939 (3,5,7,8-Tetrahydro-2-[4- (trifluoromethyl) phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one) discontinued

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