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ONTOLOGY REPORT - ANNOTATIONS


Term:dasatinib (anhydrous)
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Accession:CHEBI:49375 term browser browse the term
Definition:An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).
Synonyms:related_synonym: BMS Dasatinib;   BMS-354825;   Formula=C22H26ClN7O2S;   InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);   InChIKey=ZBNZXTGUTAYRHI-UHFFFAOYSA-N;   N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE;   SMILES=Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1;   anh. dasatinib;   dasatinib;   dasatinibum
 alt_id: CHEBI:38943;   CHEBI:49372
 xref: CAS:302962-49-8 "ChemIDplus";   DrugBank:DB01254;   Drug_Central:785 "DrugCentral";   HMDB:HMDB0015384;   KEGG:D03658;   LINCS:LSM-1020
 xref_mesh: MESH:C488369
 xref: PDBeChem:1N1;   PMID:16775234 "Europe PMC";   PMID:17154512 "Europe PMC";   PMID:18020922 "Europe PMC";   PMID:18784745 "Europe PMC";   PMID:18797457 "Europe PMC";   PMID:18823558 "Europe PMC";   PMID:19494352 "Europe PMC";   PMID:19502192 "Europe PMC";   PMID:19640584 "Europe PMC";   PMID:21226671 "Europe PMC";   PMID:22411867 "Europe PMC";   PMID:22740998 "Europe PMC";   PMID:22992064 "Europe PMC";   PMID:23065516 "Europe PMC";   Patent:US7125875;   Patent:US7941725;   Patent:WO2010067374;   Patent:WO2010139979;   Reaxys:9966762 "Reaxys";   Wikipedia:Dasatinib


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  CHEBI ontology 19657
    role 19601
      application 19225
        pharmaceutical 19089
          drug 19089
            antineoplastic agent 16561
              dasatinib (anhydrous) 0
                dasatinib monohydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19657
    subatomic particle 19653
      composite particle 19653
        hadron 19653
          baryon 19653
            nucleon 19653
              atomic nucleus 19653
                atom 19653
                  main group element atom 19534
                    p-block element atom 19534
                      carbon group element atom 19417
                        carbon atom 19409
                          organic molecular entity 19409
                            organic group 18338
                              organic divalent group 18329
                                organodiyl group 18329
                                  carbonyl group 18218
                                    carbonyl compound 18218
                                      carboxylic acid 17918
                                        carboacyl group 16941
                                          univalent carboacyl group 16941
                                            carbamoyl group 16621
                                              carboxamide 16621
                                                monocarboxylic acid amide 13181
                                                  dasatinib (anhydrous) 0
                                                    dasatinib monohydrate 0
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