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Chemical structure of Bay 11-7821

GC13035

Bay 11-7821

Also known as (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile

Bay 11-7821(BAY 11-7082) is an inhibitor of IκBα phosphorylation and NF-κB, selectively and irreversibly inhibits TNF-α-induced IκB-α phosphorylation (IC50 value is approximately 10μM), and reduces the expression of NF-κB and adhesion molecules· Bay 11-7821 inhibits ubiquitin-specific proteases USP7 and USP21 with IC50 values of 0·19 and 0·96μM, respectively

ChemicalCAS19542-67-7MW207.25FormulaC10H9NO2S
CAS number
19542-67-7
Molecular weight
207.25
Formula
C10H9NO2S
Solubility
≥ 64 mg/mL in DMSO, ≥ 10·64 mg/mL in EtOH with ultrasonic and warming
InChIKey
DOEWDSDBFRHVAP-KRXBUXKQSA-N
Catalogue number
GC13035
Brand
GLPBIO
Computed properties PubChem CID 5353431 · XLogP 1.4 · TPSA 66.3 Ų · H-bond donors 0
XLogP
1.4
TPSA
66.3 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

SMILES CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N

Computed descriptors from PubChem (CID 5353431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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