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CHEBI:138512 - BPDZ 711

ChEBI IDCHEBI:138512
ChEBI NameBPDZ 711
Stars
DefinitionA member of the class of chromanes that acts as an inhibitor of histone deacetylase class III and exhibits anti-cancer properties.
Last Modified10 October 2017
SubmitterCeri
DownloadsMolfile
FormulaC24H28N4O4
Net Charge0
Average Mass436.512
Monoisotopic Mass436.21106
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C(NC(=O)Nc1cccc(C#N)c1)CC(C)(C)O2
InChIInChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)
InChIKeyCJYMCBSCMOLHIE-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BPDZ 711 (CHEBI:138512) has role antineoplastic agent (CHEBI:35610)
BPDZ 711 (CHEBI:138512) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
BPDZ 711 (CHEBI:138512) is a carbamate ester (CHEBI:23003)
BPDZ 711 (CHEBI:138512) is a chromanes (CHEBI:23230)
BPDZ 711 (CHEBI:138512) is a nitrile (CHEBI:18379)
BPDZ 711 (CHEBI:138512) is a phenylureas (CHEBI:134043)
IUPAC Name 
tert-butyl (4-{[(3-cyanophenyl)carbamoyl]amino}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate
Synonyms  Source
N-3-cyanophenyl-N'-(6-tert-butoxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)ureaSUBMITTER
tert-butyl N-[4-[(3-cyanophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamateChEBI
BPDZ711ChEBI
BPDZ-711ChEBI
Manual XrefsDatabases
60141294PubChem Compound
Registry NumbersSources
Reaxys:22763649Reaxys
Citations