| 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
- CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N
- 3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile
- (E)-3-(4-Tert-butylphenylsulfonyl)acrylonitrile
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
