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GLPG2534

CAT: 0931-T75113-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T75113-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095615-97-5
Target
IRAK
Related Pathways
NF-κB, Immunology/Inflammation
Purity
0.9961
Bioactivity
GLPG2534 is an orally active, selective and potent IRAK4 inhibitor with anti-inflammatory activity. GLPG2534 inhibits human and mouse IRAK4 and could be used to study psoriasis and atopic dermatitis.
Smiles
N#CC1=CN=C(C=C1)N2C=NC=3C=C(OCCOCCO)C(=NC32)NC4CCOCC4
Molecular Formula
C21H24N6O4
Molecular Weight
424.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 129053583
CAS Number2095615-97-5
PubChem CID129053583
IUPAC Name6-[6-[2-(2-hydroxyethoxy)ethoxy]-5-(oxan-4-ylamino)imidazo[4,5-b]pyridin-3-yl]pyridine-3-carbonitrile
Molecular FormulaC21H24N6O4
Molecular Weight424.5
XLogP1.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity598
SMILES
C1COCCC1NC2=C(C=C3C(=N2)N(C=N3)C4=NC=C(C=C4)C#N)OCCOCCO
InChI
InChI=1S/C21H24N6O4/c22-12-15-1-2-19(23-13-15)27-14-24-17-11-18(31-10-9-30-8-5-28)20(26-21(17)27)25-16-3-6-29-7-4-16/h1-2,11,13-14,16,28H,3-10H2,(H,25,26)
InChIKey
VNAPWQDUDZCVCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 129053583
CAS: 2095615-97-5
CID: 129053583
Formula: C21H24N6O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass424.18590327
Monoisotopic Mass424.18590327
Topological Polar Surface Area127 Ų
Heavy Atom Count31
Formal Charge0
Complexity598
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

Alternative Products

CatalogName
BA6060-1GLPG2534