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HKB99

CAT: 1410-M33804-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M33804-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HKB99 is a mutant inhibitor of phosphoglycerate mutase 1 (PGAM1), which inhibits the growth and metastasis of non-small cell lung cancer.HKB99 acts synergistically with EGFR inhibitors and assists in the killing of tumors by EGFR inhibitors.HKB99 promotes oxidative stress, which induces alterations in a variety of signaling pathways.HKB99 can be used in the study of metabolism-related diseases.HKB99 can be used in the study of metabolism-related diseases.HKB99 can be used in the study of metabolism-related diseases.
CAS Number
2414908-90-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
450.46
Molecular Formula
C23H18N2O6S
Notes
Research use only, not for human use.
Receptor
Phosphatase

Chemical Information

CID 166642457
CAS Number2414908-90-8
PubChem CID166642457
IUPAC Name4-(azetidin-1-yl)-N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)benzenesulfonamide
Molecular FormulaC23H18N2O6S
Molecular Weight450.5
XLogP3.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity845
SMILES
C1CN(C1)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=C4C(=C3)C(=O)C5=CC=CC=C5C4=O)O)O
InChI
InChI=1S/C23H18N2O6S/c26-20-15-4-1-2-5-16(15)21(27)19-17(20)12-18(22(28)23(19)29)24-32(30,31)14-8-6-13(7-9-14)25-10-3-11-25/h1-2,4-9,12,24,28-29H,3,10-11H2
InChIKey
ZSFURBMYHHMIKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 166642457
CAS: 2414908-90-8
CID: 166642457
Formula: C23H18N2O6S
MW: 450.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass450.08855747
Monoisotopic Mass450.08855747
Topological Polar Surface Area132 Ų
Heavy Atom Count32
Formal Charge0
Complexity845
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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BA8103-1HKB99
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