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Chemical structure of TYK2-IN-12

GC75439

TYK2-IN-12

Also known as 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

TYK2-IN-12 (compound 30) is an orally active, potent and selective TYK2 (tyrosine kinase 2) inhibitor, with a Ki of 0·51 nM

ChemicalCAS2244061-66-1MW434.44FormulaC24H20F2N4O2
CAS number
2244061-66-1
Molecular weight
434.44
Formula
C24H20F2N4O2
Solubility
DMSO： 7·14 mg/mL (16·43 mM; ultrasonic and warming and heat to 60°C)
InChIKey
XEOSMOXXYGCQLD-UHFFFAOYSA-N
Catalogue number
GC75439
Brand
GLPBIO
Computed properties PubChem CID 138739713 · XLogP 3.6 · TPSA 74.3 Ų · H-bond donors 2
XLogP
3.6
TPSA
74.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

SMILES C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)F

Computed descriptors from PubChem (CID 138739713), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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