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ID	http://purl.obolibrary.org/obo/CHEBI_49375 http://purl.obolibrary.org/obo/CHEBI_49375 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_49375 Loading
Preferred name	dasatinib (anhydrous)
Synonyms	N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide BMS Dasatinib BMS-354825 anh. dasatinib anhydrous dasatinib dasatinib dasatinib (anh.) dasatinibum N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE See more See less
Definitions	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).

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24532 Loading http://purl.obolibrary.org/obo/CHEBI_37622 Loading
rdfs:label	dasatinib (anhydrous)
skos:notation	CHEBI:49375
obo_purl:IAO_0000115	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).
oboinowl_gen:hasExactSynonym	N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
oboinowl_gen:hasDbXref	CAS:302962-49-8 DrugBank:DB01254 Drug_Central:785 HMDB:HMDB0015384 KEGG:D03658 LINCS:LSM-1020 NCIt:C38713 PDBeChem:1N1 PMID:16775234 PMID:17154512 PMID:18020922 PMID:18784745 PMID:18797457 PMID:18823558 PMID:19494352 PMID:19502192 PMID:19640584 PMID:21226671 PMID:22411867 PMID:22740998 PMID:22992064 PMID:23065516 Patent:US7125875 Patent:US7941725 Patent:WO2010067374 Patent:WO2010139979 Reaxys:9966762 SNOMEDCT:422756008 SNOMEDCT:423658008 Wikipedia:Dasatinib MESH:C488369 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:49375
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
has_role	http://purl.obolibrary.org/obo/CHEBI_35610 Loading
oboinowl_gen:hasRelatedSynonym	BMS Dasatinib BMS-354825 anh. dasatinib anhydrous dasatinib dasatinib dasatinib (anh.) dasatinibum N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE See more See less
oboinowl_gen:hasAlternativeId	CHEBI:38943 CHEBI:49372
obo_purl:charge	0
obo_purl:formula	C22H26ClN7O2S
obo_purl:inchi	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)
obo_purl:inchikey	ZBNZXTGUTAYRHI-UHFFFAOYSA-N
obo_purl:mass	488.00652
obo_purl:monoisotopicmass	487.15572
obo_purl:smiles	Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

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