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Chemical structure of NIK SMI1

GC31733

NIK SMI1

Also known as 6-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide

NIK SMI1 is a potent, selective NF-κB inducing kinase (NIK) inhibitor, which inhibits NIK-catalyzed hydrolysis of ATP to ADP with IC50 of 0·23±0·17 nM

ChemicalCAS1660114-31-7MW365.38FormulaC20H19N3O4
CAS number
1660114-31-7
Molecular weight
365.38
Formula
C20H19N3O4
Solubility
DMSO ： 100 mg/mL (273·69 mM)
InChIKey
LQSHXYHWYGKAMX-FQEVSTJZSA-N
Catalogue number
GC31733
Brand
GLPBIO
Computed properties PubChem CID 117902000 · XLogP 0.9 · TPSA 106 Ų · H-bond donors 2
XLogP
0.9
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

SMILES CN1CC[C@](C1=O)(C#CC2=CC(=CC=C2)C3=NC(=CC(=C3)OC)C(=O)N)O

Computed descriptors from PubChem (CID 117902000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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