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CHEBI:90195 - tacedinaline

ChEBI IDCHEBI:90195
ChEBI Nametacedinaline
Stars
DefinitionA benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.
Last Modified25 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC15H15N3O2
Net Charge0
Average Mass269.304
Monoisotopic Mass269.11643
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyVAZAPHZUAVEOMC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
tacedinaline (CHEBI:90195) has functional parent 1,2-phenylenediamine (CHEBI:34043)
tacedinaline (CHEBI:90195) has role antineoplastic agent (CHEBI:35610)
tacedinaline (CHEBI:90195) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
tacedinaline (CHEBI:90195) is a acetamides (CHEBI:22160)
tacedinaline (CHEBI:90195) is a benzamides (CHEBI:22702)
tacedinaline (CHEBI:90195) is a substituted aniline (CHEBI:48975)
IUPAC Name 
4-acetamido-N-(2-aminophenyl)benzamide
INNs  Source
tacedinalineKEGG COMPOUND
tacedinalinaChemIDplus
Synonyms  Source
CI-994ChemIDplus
AcetyldinalineChemIDplus
CI 994ChemIDplus
4-(Acetylamino)-N-(2-aminophenyl)benzamideChemIDplus
C.I. 994ChemIDplus
N-acetyldinalineChEBI
Manual XrefsDatabases
D05988KEGG DRUG
LSM-19036LINCS
Registry NumbersSources
Reaxys:8422586Reaxys
CAS:112522-64-2KEGG COMPOUND
CAS:112522-64-2ChemIDplus
Citations