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Chemical structure of Tyk2-IN-5

GC65387

Tyk2-IN-5

Also known as N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide

Tyk2-IN-5 (compound 6) is a highly potent, selective and orally active Tyk2 inhibitor and targets the JH2 domain, with a Ki of 0·086 nM for Tyk2 JH2 and an IC50 of 25 nM for IFNα

ChemicalCAS1797432-62-2MW434.43FormulaC21H19FN8O2
CAS number
1797432-62-2
Molecular weight
434.43
Formula
C21H19FN8O2
Solubility
DMSO ： 43·33 mg/mL (99·74 mM; Need ultrasonic)
InChIKey
YITUGUNLCGLOII-GXTWGEPZSA-N
Catalogue number
GC65387
Brand
GLPBIO
Computed properties PubChem CID 91809175 · XLogP 1.9 · TPSA 117 Ų · H-bond donors 3
XLogP
1.9
TPSA
117 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

SMILES CNC1=CC(=NN2C1=NC=C2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)C5=CC=CC=N5

Computed descriptors from PubChem (CID 91809175), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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