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Chemical structure of Tyk2-IN-9

GC39644

Tyk2-IN-9

Also known as 3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile

Tyk2-IN-9 (Compound 26) is a selective Tyk-2 inhibitor with IC50s of 0·076 and 1·8 nM for TYK2-JH2 and JAK1-JH2, respectively

ChemicalCAS2127109-85-5MW383.41FormulaC20H17N9
CAS number
2127109-85-5
Molecular weight
383.41
Formula
C20H17N9
Solubility
DMSO: 3·33 mg/mL (8·69 mM; ultrasonic and adjust pH to 4 with HCl)
InChIKey
XPLZTJWZDBFWDE-UHFFFAOYSA-N
Catalogue number
GC39644
Brand
GLPBIO
Computed properties PubChem CID 130339268 · XLogP -0.4 · TPSA 113 Ų · H-bond donors 0
XLogP
-0.4
TPSA
113 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES CN1C=C(C=N1)C2=CN3C(=CC=N3)C(=N2)C4=CN(N=C4)C5(CC(C5)C#N)CC#N

Computed descriptors from PubChem (CID 130339268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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