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CHEBI:176500 - BAY11-7085
| Formula | C13H15NO2S |
| Net Charge | 0 |
| Average Mass | 249.335 |
| Monoisotopic Mass | 249.08235 |
| SMILES | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | NF-kappaB inhibitor An inhibitor of NF-κB (nuclear factor κ-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 2.7.11.10 (IkappaB kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of IκB kinase (EC 2.7.11.10). 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). 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. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| (2E)-3-(4-tert-butylbenzene-1-sulfonyl)prop-2-enenitrile | IUPAC |
| (E)-3-(4-tert-butylphenylsulfonyl)-2-propenenitrile | ChEBI |
| Bay 11-7085 | ChEBI |
| (2E)-3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-2-propenenitrile | ChEBI |
| Bay 11-7083 | ChEBI |
| Bay-11-7085 | ChEBI |
| Citations |
|---|