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Chemical structure of GS-829845

GC69190

GS-829845

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

GS-829845 is the main active metabolite of Filgotinib· It is a JAK1 inhibitor, but its potency is about 10 times lower than that of the parent compound and it has a longer half-life

ChemicalCAS1257705-09-1MW357.43FormulaC17H19N5O2S
CAS number
1257705-09-1
Molecular weight
357.43
Formula
C17H19N5O2S
Solubility
DMSO : 100 mg/mL (279·78 mM; Need ultrasonic)
InChIKey
BYWJAVQGRJEEHH-UHFFFAOYSA-N
Catalogue number
GC69190
Brand
GLPBIO
Computed properties PubChem CID 67479440 · XLogP 1 · TPSA 102 Ų · H-bond donors 1
XLogP
1
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

SMILES C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)C3=CC=CC4=NC(=NN43)N

Computed descriptors from PubChem (CID 67479440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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