BAY 11-7082

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Ligands
BAY 11-7082

Ligand id: 5934

Name: BAY 11-7082

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	3
Hydrogen bond donors	0
Rotatable bonds	2
Topological polar surface area	66.31
Molecular weight	207.04
XLogP	2.31
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
(2E)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile

IUPAC Name

(2E)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile

Synonyms
(E)-3-tosylacrylonitrile \| BAY-117082

Synonyms

(E)-3-tosylacrylonitrile | BAY-117082

Database Links
CAS Registry No.	19542-67-7
ChEMBL Ligand	CHEMBL403183
GtoPdb PubChem SID	178102557
PubChem CID	5353431
Search Google for chemical match using the InChIKey	DOEWDSDBFRHVAP-KRXBUXKQSA-N
Search Google for chemicals with the same backbone	DOEWDSDBFRHVAP
Search UniChem for chemical match using the InChIKey	DOEWDSDBFRHVAP-KRXBUXKQSA-N
Search UniChem for chemicals with the same backbone	DOEWDSDBFRHVAP

Comments
BAY 11-7082 has long been reported as a NF-κB inhibitor, which inhibits TNFα-induced IκBα phosphorylation (IC₅₀ 10μM) [3]. However, an alternative report suggests that BAY 11-7082 reduces the activation of IκB kinases by targeting components of the ubiquitin system, and that this is responsible for its anti-inflammatory effects and induction of B-cell lymphoma and leukaemic T-cell death

Comments

BAY 11-7082 has long been reported as a NF-κB inhibitor, which inhibits TNFα-induced IκBα phosphorylation (IC₅₀ 10μM) [3]. However, an alternative report suggests that BAY 11-7082 reduces the activation of IκB kinases by targeting components of the ubiquitin system, and that this is responsible for its anti-inflammatory effects and induction of B-cell lymphoma and leukaemic T-cell death