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ONTOLOGY REPORT - ANNOTATIONS


Term:sapacitabine
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Accession:CHEBI:145429 term browser browse the term
Definition:A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML).
Synonyms:exact_synonym: 1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one
 related_synonym: CS-682;   CS682;   CYC 682;   CYC682;   Formula=C26H42N4O5;   InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1;   InChIKey=LBGFKUUHOPIEMA-PEARBKPGSA-N;   N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide;   N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide;   PCNDAC;   SMILES=O1[C@@H]([C@H]([C@@H]([C@@H]1N2C(N=C(C=C2)NC(CCCCCCCCCCCCCCC)=O)=O)C#N)O)CO;   sapacitabina;   sapacitabinum
 xref: CAS:151823-14-2 "ChemIDplus";   DrugBank:DB06365;   KEGG:D09722;   PMID:16502355 "Europe PMC";   PMID:16788861 "Europe PMC";   PMID:17637678 "Europe PMC";   PMID:22329458 "Europe PMC";   PMID:22404148 "Europe PMC";   PMID:22739266 "Europe PMC";   PMID:23075701 "Europe PMC";   PMID:24790002 "Europe PMC";   PMID:24851045 "Europe PMC";   PMID:25676423 "Europe PMC";   PMID:26523431 "Europe PMC";   PMID:28802254 "Europe PMC";   PMID:30222471 "Europe PMC";   PMID:9989668 "Europe PMC";   Wikipedia:Sapacitabine


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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        biochemical role 19177
          antimetabolite 8481
            sapacitabine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            heteroorganic entity 19066
                              organochalcogen compound 18783
                                organooxygen compound 18696
                                  carbohydrates and carbohydrate derivatives 12112
                                    carbohydrate 12112
                                      carbohydrate derivative 11735
                                        glycosyl compound 10794
                                          N-glycosyl compound 5315
                                            nucleoside 5176
                                              deoxyribonucleoside 2705
                                                2'-deoxyribonucleoside 2188
                                                  pyrimidine 2'-deoxyribonucleoside 331
                                                    CNDAC 0
                                                      sapacitabine 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.