Difference between revisions of "Bay11-7085"
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Revision as of 02:42, 25 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
Activity
Bay11-7085 PTP1B (Homo sapiens) - P18031 TCPTP (Homo sapiens) - P17706 IKK-alpha (Homo sapiens) - O15111 Experimental data Ki: 36 µM.
LC-MS/MSKi: 39 µM.
LC-MS/MSIC50: 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
