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GSK583

CAT: 0957-S8261-02Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0957-S8261-02Size:5 mg
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Description
GSK583 is a highly potent and selective inhibitor of RIP2 kinase with IC50 of 5 nM. GSK583 also inhibits both TNF-α and IL-6 production with IC50 of ~200 nM in explant cultures.
CAS Number
1346547-00-9
Target
RIP kinase
Activity
Apoptosis
Molecular Formula
C20H19FN4O2S
Storage Conditions
2 years -80 in solvent

Chemical Information

Gsk583

a RIP2 kinase inhibitor; structure in first source

CAS Number1346547-00-9
PubChem CID67469084
IUPAC Name6-tert-butylsulfonyl-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine
Molecular FormulaC20H19FN4O2S
Molecular Weight398.5
XLogP4
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity662
SMILES
CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=NNC4=C3C=C(C=C4)F
InChI
InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKey
XLOGLWKOHPIJLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk583
CAS: 1346547-00-9
CID: 67469084
Formula: C20H19FN4O2S
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass398.12127520
Monoisotopic Mass398.12127520
Topological Polar Surface Area96.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity662
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