CHEBI:176500 - BAY11-7085

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ChEBI Name BAY11-7085
ChEBI ID CHEBI:176500
Definition A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IκB-α phosphorylation in cells (IC50 = 10 μM) and prevents the activation of NF-κB.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H15NO2S
Net Charge 0
Average Mass 249.330
Monoisotopic Mass 249.08235
InChI InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+
InChIKey VHKZGNPOHPFPER-ONNFQVAWSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)\C=C\C#N
Roles Classification
Biological Role(s): ferroptosis inducer
Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
NF-kappaB inhibitor
An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
autophagy inducer
Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
EC 2.7.11.10 (IkappaB kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of IkappaB kinase (EC 2.7.11.10).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing BAY11-7085 (CHEBI:176500) has role anti-inflammatory agent (CHEBI:67079)
BAY11-7085 (CHEBI:176500) has role antibacterial agent (CHEBI:33282)
BAY11-7085 (CHEBI:176500) has role antineoplastic agent (CHEBI:35610)
BAY11-7085 (CHEBI:176500) has role apoptosis inducer (CHEBI:68495)
BAY11-7085 (CHEBI:176500) has role autophagy inducer (CHEBI:138880)
BAY11-7085 (CHEBI:176500) has role EC 2.7.11.10 (IκB kinase) inhibitor (CHEBI:77113)
BAY11-7085 (CHEBI:176500) has role ferroptosis inducer (CHEBI:173085)
BAY11-7085 (CHEBI:176500) has role NF-κB inhibitor (CHEBI:73240)
BAY11-7085 (CHEBI:176500) is a benzenes (CHEBI:22712)
BAY11-7085 (CHEBI:176500) is a nitrile (CHEBI:18379)
BAY11-7085 (CHEBI:176500) is a sulfone (CHEBI:35850)
IUPAC Name
(2E)-3-[(4-tert-butylphenyl)sulfonyl]prop-2-enenitrile
Synonyms Sources
(2E)-3-(4-tert-butylbenzene-1-sulfonyl)prop-2-enenitrile IUPAC
(2E)-3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-2-propenenitrile ChEBI
(E)-3-(4-t-butylphenylsulfonyl)-2-propenenitrile ChEBI
(E)-3-(4-tert-butylphenylsulfonyl)-2-propenenitrile ChEBI
Bay 11-7083 ChEBI
Bay 11-7085 ChEBI
Bay-11-7085 ChEBI
BAY-117085 ChEBI
Manual Xrefs Databases
4510087 ChemSpider
LSM-43815 LINCS
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Registry Number Type Source
196309-76-9 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
11 June 2021