Compound Summary
bay 11-7085
Compound Information
bay 11-7085
Compound Name: | bay 11-7085 |
Compound CID: | 5353432 |
Synonyms: | bay 11-7085 196309-76-9 (E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile (E)-3-((4-(tert-Butyl)phenyl)sulfonyl)acrylonitrile BAY 11-7083 More... |
Iupac Name: | (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile |
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 |
Canonical Smiles: | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N |
Isomeric Smiles: | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N |
Molecular Weight: | 249.33 |
Molecular Formula: | C13H15NO2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
bay 11-7085
Molecular Weight: | 249.33 |
Molecular Formula: | C13H15NO2S |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 17 |
Complexity: | 420 |
Synonyms
bay 11-7085
| bay 11-7085 | bay 11-7085 |
|---|---|
bay 11-7085 |
196309-76-9 |
(E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile |
(E)-3-((4-(tert-Butyl)phenyl)sulfonyl)acrylonitrile |
BAY 11-7083 |
bay11-7085 |
(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile |
BAY-117085 |
(E)-3-(4-t-Butylphenylsulfonyl)-2-propenenitrile |
BAY-11-7085 |
(2E)-3-4-(1,1-Dimethylethyl)phenylsulfonyl-2-propenenitrile |
MFCD01862602 |
2-Propenenitrile, 3-4-(1,1-dimethylethyl)phenylsulfonyl-, (2E)- |
SR-01000075721 |
Lopac0_000183 |
SCHEMBL157756 |
SCHEMBL157757 |
(E)3-(4-t-Butylphenyl)sulfonyl-2-propenenitrile |
CHEMBL270299 |
AOB6820 |
QCR-159 |
CHEBI:107653 |
CHEBI:176500 |
3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile |
DTXSID101017376 |
HMS3260F07 |
HMS3268A22 |
HMS3414M13 |
HMS3678M13 |
BCP07274 |
EX-A2030 |
WHA30976 |
ZINC2386759 |
Tox21_500183 |
FD5033 |
s7352 |
AKOS016014648 |
CCG-204278 |
CS-6316 |
DS-6861 |
LP00183 |
SDCCGSBI-0050171.P002 |
NCGC00025271-02 |
NCGC00025271-03 |
NCGC00025271-04 |
NCGC00025271-05 |
NCGC00025271-06 |
NCGC00025271-15 |
NCGC00260868-01 |
AC-33123 |
AC-33124 |
HY-10257 |
AB0048075 |
EU-0100183 |
SW220312-1 |
Y1192 |
EC-000.2384 |
A12470 |
B 5681 |
Bay 11-7085, >=98% (HPLC), solid |
A813845 |
(E)-3-(4-tert-Butyl-benzenesulfonyl)-acrylonitrile |
CU-00000000043-1 |
J-501930 |
SR-01000075721-1 |
SR-01000075721-3 |
(E)-3-(4-tert-butylphenyl)sulfonyl-2-propenenitrile |
(E)-3-(4-tert-butylphenylsulfonyl)-2-propenenitrile |
BRD-K48684885-001-01-8 |
(2E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile |
(2E)-3-(4-tert-butylbenzene-1-sulfonyl)prop-2-enenitrile |
336608-38-9 |
Experimental Data
bay 11-7085
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -2.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
bay 11-7085
Statistics Data
bay 11-7085
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.000000000000000 | 1 | 1 |
Statistics Data Visualization
bay 11-7085
