CHEBI:138512 - BPDZ 711

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ChEBI Name BPDZ 711
ChEBI ID CHEBI:138512
Definition A member of the class of chromanes that acts as an inhibitor of histone deacetylase class III and exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Ceri
Supplier Information
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Formula C24H28N4O4
Net Charge 0
Average Mass 436.504
Monoisotopic Mass 436.21106
InChI InChI=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)
InChIKey CJYMCBSCMOLHIE-UHFFFAOYSA-N
SMILES C=1C=C(C=C(C1)NC(=O)NC2CC(OC=3C2=CC(=CC3)NC(OC(C)(C)C)=O)(C)C)C#N
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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 Sources
BPDZ-711 ChEBI
BPDZ711 ChEBI
N-3-cyanophenyl-N'-(6-tert-butoxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)urea SUBMITTER
tert-butyl N-[4-[(3-cyanophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate ChEBI
Manual Xref Database
60141294 PubChem
View more database links
Registry Number Type Source
22763649 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
27267004 PubMed citation Europe PMC
28475330 PubMed citation SUBMITTER
Last Modified
10 October 2017