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CHEBI:77729 - tenovin-6

ChEBI IDCHEBI:77729
ChEBI Nametenovin-6
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide.
Last Modified17 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC25H34N4O2S
Net Charge0
Average Mass454.640
Monoisotopic Mass454.24025
SMILESCN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)
InChIKeyBVJSXSQRIUSRCO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Sir2 inhibitor  An EC 3.5.1.98 (histone deacetylase) inhibitor that interferes with the action of Sir2.
p53 activator  Any activator of tumour protein p53.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tenovin-6 (CHEBI:77729) has role antineoplastic agent (CHEBI:35610)
tenovin-6 (CHEBI:77729) has role p53 activator (CHEBI:77731)
tenovin-6 (CHEBI:77729) has role Sir2 inhibitor (CHEBI:71181)
tenovin-6 (CHEBI:77729) is a monocarboxylic acid amide (CHEBI:29347)
tenovin-6 (CHEBI:77729) is a tertiary amino compound (CHEBI:50996)
tenovin-6 (CHEBI:77729) is a thioureas (CHEBI:51276)
IUPAC Name 
4-tert-butyl-N-[(4-{[5-(dimethylamino)pentanoyl]amino}phenyl)carbamothioyl]benzamide
Registry NumbersSources
Reaxys:13113367Reaxys
Citations