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Chemical structure of GLPG0634

GC12579

GLPG0634

Also known as N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

GLPG0634 (GLPG0634) is a selective and orally active JAK1 inhibitor with IC50 of 10 nM, 28 nM, 810 nM, and 116 nM for JAK1, JAK2, JAK3, and TYK2, respectively

ChemicalCAS1206161-97-8MW425.5FormulaC21H23N5O3S
CAS number
1206161-97-8
Molecular weight
425.5
Formula
C21H23N5O3S
Solubility
≥ 21·3mg/mL in DMSO
InChIKey
RIJLVEAXPNLDTC-UHFFFAOYSA-N
Catalogue number
GC12579
Brand
GLPBIO
Computed properties PubChem CID 49831257 · XLogP 1.4 · TPSA 105 Ų · H-bond donors 1
XLogP
1.4
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5

Computed descriptors from PubChem (CID 49831257), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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