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XK469

CAT: 0013-GTR19209549-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209549-02Size:50 mg
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Description
XK489 is a synthetic quinoxaline phenoxypropionic acid derivative that acts as a selective topoisomerase II-beta inhibitor. Its R (+) enantiomer induces G2/M cell cycle arrest and apoptosis in cancer cells by disrupting MEK/MAPK signaling and activating p53, demonstrating cytotoxic effects in both in vitro and in vivo cancer research models.
CAS Number
157435-10-4
Smiles
O (C1=NC2=C (N=C1) C=CC (Cl) =C2) C3=CC=C (OC (C (O) =O) C) C=C3
Molecular Formula
C17H13ClN2O4
Molecular Weight
344.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

XK-469 Free acid

structure in first source

CAS Number157435-10-4
PubChem CID148183
IUPAC Name2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Molecular FormulaC17H13ClN2O4
Molecular Weight344.7
XLogP3.6
Topological Polar Surface Area81.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity431
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)
InChIKey
NUQZXROIVGBRGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of XK-469 Free acid
CAS: 157435-10-4
CID: 148183
Formula: C17H13ClN2O4
MW: 344.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.7
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.0563846
Monoisotopic Mass344.0563846
Topological Polar Surface Area81.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-120679XK469

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