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Chemical structure of Tyk2-IN-8

GC75285

Tyk2-IN-8

Also known as 6-(cyclopropanecarbonylamino)-N-methyl-4-[3-(1-methyl-1,2,4-triazol-3-yl)-2-(trideuteriomethoxy)anilino]pyridazine-3-carboxamide

Tyk2-IN-8 is a selective Tyk-2 inhibitor with an IC50 of 5·7 nM for TYK2-JH2

ChemicalCAS2704587-24-4MW425.46FormulaC20H19D3N8O3
CAS number
2704587-24-4
Molecular weight
425.46
Formula
C20H19D3N8O3
Solubility
DMSO： 100 mg/mL (235·04 mM; Need ultrasonic (＜80°C))
InChIKey
BZZKEPGENYLQSC-HPRDVNIFSA-N
Catalogue number
GC75285
Brand
GLPBIO
Computed properties PubChem CID 163322129 · XLogP 1.2 · TPSA 136 Ų · H-bond donors 3
XLogP
1.2
TPSA
136 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES [2H]C([2H])([2H])OC1=C(C=CC=C1NC2=CC(=NN=C2C(=O)NC)NC(=O)C3CC3)C4=NN(C=N4)C

Computed descriptors from PubChem (CID 163322129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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