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Experimental Factor Ontology
| Preferred Name | dasatinib (anhydrous) | |
| Synonyms |
anhydrous dasatinib dasatinib (anh.) anh. dasatinib BMS Dasatinib dasatinibum N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE BMS-354825 dasatinib N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide |
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| 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). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_49375 |
|
| charge |
0
|
|
| database_cross_reference |
SNOMEDCT:423658008 PMID:18823558 PMID:17154512 Patent:WO2010139979 PMID:16775234 DrugBank:DB01254 Reaxys:9966762 HMDB:HMDB0015384 LINCS:LSM-1020 PMID:18784745 PMID:23065516 Drug_Central:785 KEGG:D03658 CAS:302962-49-8 MeSH:C488369 PMID:22411867 PMID:19640584 PMID:22740998 Wikipedia:Dasatinib PMID:22992064 PMID:19502192 Patent:US7941725 Patent:WO2010067374 NCIt:C38713 PMID:18020922 Patent:US7125875 PMID:18797457 PMID:19494352 PMID:21226671 SNOMEDCT:422756008 PDBeChem:1N1
|
|
| 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).
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|
| formula |
C22H26ClN7O2S
|
|
| has characteristic | ||
| has_alternative_id |
CHEBI:38943 CHEBI:49372
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|
| has_exact_synonym |
N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
anhydrous dasatinib dasatinib (anh.) anh. dasatinib BMS Dasatinib dasatinibum N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE BMS-354825 dasatinib
|
|
| has_role | ||
| id |
CHEBI:49375
|
|
| in_subset | ||
| 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)
|
|
| inchikey |
ZBNZXTGUTAYRHI-UHFFFAOYSA-N
|
|
| label |
dasatinib (anhydrous)
|
|
| mass |
488.00652
|
|
| monoisotopicmass |
487.15572
|
|
| notation |
CHEBI:49375
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|
| preferred label |
dasatinib (anhydrous)
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|
| prefLabel |
dasatinib (anhydrous)
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|
| smiles |
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
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| subClassOf |
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