CHEBI:90195 - tacedinaline

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ChEBI Name tacedinaline
ChEBI ID CHEBI:90195
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C15H15N3O2
Net Charge 0
Average Mass 269.299
Monoisotopic Mass 269.11643
InChI InChI=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)
InChIKey VAZAPHZUAVEOMC-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(NC2=C(C=CC=C2)N)=O)NC(C)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 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 Sources
tacedinalina ChemIDplus
tacedinaline KEGG COMPOUND
Synonyms Sources
4-(Acetylamino)-N-(2-aminophenyl)benzamide ChemIDplus
Acetyldinaline ChemIDplus
C.I. 994 ChemIDplus
CI 994 ChemIDplus
CI-994 ChemIDplus
N-acetyldinaline ChEBI
Manual Xrefs Databases
D05988 KEGG DRUG
LSM-19036 LINCS
View more database links
Registry Numbers Types Sources
112522-64-2 CAS Registry Number ChemIDplus
8422586 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25827403 PubMed citation Europe PMC
26365427 PubMed citation SUBMITTER
Last Modified
25 February 2016