BML-210 (CHEBI:61077)

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ChEBI Name	BML-210

ChEBI ID	CHEBI:61077

Definition	A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Sandra Orchard

Supplier Information

Download	Molfile XML SDF

Formula

C20H25N3O2

Net Charge

Average Mass

339.43140

Monoisotopic Mass

339.19468

InChI

InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)

InChIKey

RFLHBLWLFUFFDZ-UHFFFAOYSA-N

SMILES

Nc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1

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.

ChEBI Ontology
Outgoing	BML-210 (CHEBI:61077) has functional parent suberic acid (CHEBI:9300) BML-210 (CHEBI:61077) has role antineoplastic agent (CHEBI:35610) BML-210 (CHEBI:61077) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) BML-210 (CHEBI:61077) is a dicarboxylic acid diamide (CHEBI:35779)

IUPAC Name

N-(2-aminophenyl)-N'-phenyoctanediamide

Synonym	Source
N-(2-aminophenyl)-N'-phenyl-octanediamide	SUBMITTER

Last Modified

26 February 2016

General Comment
2011-01-26	BML-210 is a novel histone deacetylase (HDAC) inhibitor with putative effects on leukemia cell growth, differentiation and apoptosis. BML-210 is comparable with a well known HDAC inhibitor, phenyl butyrate, in its ability to cause cytotoxic effects dependent on exposure time and dose.