Difference between revisions of "Bay11-7085"

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(Reference)
Line 21: Line 21:
  
 
==Property and Activity==
 
==Property and Activity==
 
+
{| class="wikitable"
 +
! Bay11-7085
 +
! PTP1B (Homo sapiens) - P18031
 +
! TCPTP (Homo sapiens) - P17706
 +
! IKK-alpha (Homo sapiens) - O15111
 +
|-
 +
| Experimental evidence/Activity
 +
| Ki: 36 µM. LC-MS/MS
 +
| Ki: 39 µM. LC-MS/MS
 +
| IC50: 5 µM
 +
|-
 +
| PubMed
 +
| 23578302
 +
| 23578302
 +
| 9261113
 +
|-
 +
| Cys site
 +
| C215
 +
| C216
 +
| C178
 +
|}
 
==Reference==
 
==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.[https://www.ncbi.nlm.nih.gov/pubmed/?term=23578302 23578302]<br/>
 
# 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.[https://www.ncbi.nlm.nih.gov/pubmed/?term=23578302 23578302]<br/>

Revision as of 20:08, 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

  • SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N
  • Chemical Name/Synonyms
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 evidence/Activity Ki: 36 µM. LC-MS/MS Ki: 39 µM. LC-MS/MS IC50: 5 µM
PubMed 23578302 23578302 9261113
Cys site C215 C216 C178

Reference

  1. 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
  2. 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