Difference between revisions of "Bay11-7085"
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==Name and Identifier== | ==Name and Identifier== | ||
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*Chemical Name/Synonyms<br/> | *Chemical Name/Synonyms<br/> | ||
:3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile<br/> | :3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile<br/> | ||
:(E)-3-(4-Tert-butylphenylsulfonyl)acrylonitrile | :(E)-3-(4-Tert-butylphenylsulfonyl)acrylonitrile | ||
| + | *SMILES<br/> | ||
| + | :CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N | ||
==Cysteinome Target== | ==Cysteinome Target== | ||
Revision as of 20:53, 24 July 2019
| Basic Information | |
|---|---|
| CAS Number | 196309-76-9 |
| Molecular Formula | C13H15NO2S |
| Molecular Weight | 249.33 g/mol |
| PubChem CID | 5353432 |
| Type | Synthetic |
| Bond Type | Carbon-Sulfur Bond: Michael addition |
Molecular Structure
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Name and Identifier
- Chemical Name/Synonyms
- 3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile
- (E)-3-(4-Tert-butylphenylsulfonyl)acrylonitrile
- SMILES
- CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N
Cysteinome Target
Related PDB
- Unknown
Property and Activity
| Bay11-7085 | PTP1B (Homo sapiens) - P18031 | TCPTP (Homo sapiens) - P17706 | IKK-alpha (Homo sapiens) - O15111 |
|---|---|---|---|
| Experimental data | Ki: 36 µM. LC-MS/MS |
Ki: 39 µM. LC-MS/MS |
IC50: 5 µM |
| PubMed ID | 23578302 | 23578302 | 9261113 |
| Cys site | C215 | C216 | C178 |
Reference
- Krishnan, N., G. Bencze, et al. (2013). The anti-inflammatory compound BAY-11-7082 is a potent inhibitor of protein tyrosine phosphatases. Febs J 280(12): 2830-2841. 23578302
- Pierce, J. W., R. Schoenleber, et al. (1997). Novel inhibitors of cytokine-induced IkappaBalpha phosphorylation and endothelial cell adhesion molecule expression show anti-inflammatory effects in vivo. J Biol Chem 272(34): 21096-21103. 9261113
