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OM-153

CAT: 0931-T63508-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63508-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2406278-81-5
Target
PARP, Others, Wnt/beta-catenin
Related Pathways
Chromatin/Epigenetic, Others, DNA Damage/DNA Repair, Cytoskeletal Signaling, Stem Cells
Bioactivity
OM-153 is a potent inhibitor of tankyrase, acting on tankyrase 1 (IC50: 13 nM) and tankyrase 2 (IC50: 2 nM), and inhibiting WNT/β-linked protein signaling and proliferation in COLO 320DM.
Smiles
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F
Molecular Formula
C28H24FN7O2
Molecular Weight
509.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CAS Number2406278-81-5
PubChem CID146282356
IUPAC NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
Molecular FormulaC28H24FN7O2
Molecular Weight509.5
XLogP3.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity801
SMILES
CCOC1=CN=C(C=C1)C2=NN=C(N2C3=CC=CC=C3F)C4CC(C4)NC(=O)C5=C6C(=CC=C5)N=CC=N6
InChI
InChI=1S/C28H24FN7O2/c1-2-38-19-10-11-23(32-16-19)27-35-34-26(36(27)24-9-4-3-7-21(24)29)17-14-18(15-17)33-28(37)20-6-5-8-22-25(20)31-13-12-30-22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)
InChIKey
ARCOJIXZDJYBCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CAS: 2406278-81-5
CID: 146282356
Formula: C28H24FN7O2
MW: 509.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass509.19755120
Monoisotopic Mass509.19755120
Topological Polar Surface Area108 Ų
Heavy Atom Count38
Formal Charge0
Complexity801
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