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CHEBI:145435 - CNDAC

ChEBI IDCHEBI:145435
ChEBI NameCNDAC
Stars
DefinitionA pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors.
Last Modified20 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC10H12N4O4
Net Charge0
Average Mass252.230
Monoisotopic Mass252.08585
SMILESN#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1
InChIKeyDCYBPMFXJCWXNB-JWIUVKOKSA-N
Roles Classification
Biological Roles:
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CNDAC (CHEBI:145435) has role antineoplastic agent (CHEBI:35610)
CNDAC (CHEBI:145435) has role DNA synthesis inhibitor (CHEBI:59517)
CNDAC (CHEBI:145435) has role drug metabolite (CHEBI:49103)
CNDAC (CHEBI:145435) is a nitrile (CHEBI:18379)
CNDAC (CHEBI:145435) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
Incoming Relation(s)
sapacitabine (CHEBI:145429) has functional parent CNDAC (CHEBI:145435)
IUPAC Name 
4-amino-1-(2-cyano-2-deoxy-β-D-arabinofuranosyl)pyrimidin-2(1H)-one
Synonyms  Source
2'-cyano-2'-deoxy-1-(β-D-arabinofuranosyl)cytosineDrugBank
TAS-109DrugBank
TAS 109DrugBank
1-(2-deoxy-2-cyano-β-D-arabinofuranosyl)cytosineChEBI
DFP10917ChEBI
2'-C-cyano-2'-deoxy-1-β-D-arabino-pentofuranosyl-cytosineChEBI
Manual XrefsDatabases
DB11667DrugBank
Registry NumbersSources
CAS:135598-68-4ChemIDplus
Citations