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XAV-939 (Standard)

CAT: 0804-HY-15147R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15147R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XAV-939 (Standard) is the analytical standard of XAV-939. This product is intended for research and analytical applications. XAV-939 is a Tankyrase inhibitor. XAV-939 has inhibitory activity for TNKS1 and TNKS2 with IC50 values of 5 nM and 2 nM, respectively. XAV-939 also is an enhancer of osteoblastic differentiation of hMSCs. XAV-939 can be used for the research of conditions associated with activated Wnt signaling, such as cancer, fibrotic diseases and conditions associated with low bone formation[1][2][3].
CAS Number
284028-89-3
UNSPSC
12352100
Hazard Statement
H302
Target
PARP; Reference Standards; β-catenin
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; Others; Stem Cell/Wnt
Field of Research
Cancer
Smiles
O=C1C(CSCC2)=C2N=C(C3=CC=C(C(F)(F)F)C=C3)N1
Molecular Formula
C14H11F3N2OS
Molecular Weight
312.31
Precautions
P264-P270-P301+P312-P501
References & Citations
[1]Mohit Narwal, et al. Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J Med Chem. 2013 Oct 24;56 (20) :7880-9.|[2]Nuha Almasoud, et al. Tankyrase inhibitor XAV-939 enhances osteoblastogenesis and mineralization of human skeletal (mesenchymal) stem cells. Sci Rep. 2020 Oct 7;10 (1) :16746. |[3]Senxin Cai, et al. Mechanical stress reduces secreted frizzled-related protein expression and promotes temporomandibular joint osteoarthritis via Wnt/β-catenin signaling. Bone. 2022 Aug;161:116445.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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

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