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 dasatinib (anh.) anh. dasatinib anhydrous dasatinib dasatinibum BMS Dasatinib BMS-354825 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE dasatinib |
|
| 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 |
PMID:17154512 LINCS:LSM-1020 PMID:22992064 PMID:16775234 Reaxys:9966762 PMID:18784745 PMID:18797457 PMID:19640584 PMID:22411867 PMID:21226671 Patent:US7941725 PMID:19494352 Patent:US7125875 PMID:19502192 PMID:18020922 Drug_Central:785 HMDB:HMDB0015384 PDBeChem:1N1 PMID:23065516 PMID:18823558 Wikipedia:Dasatinib PMID:22740998 CAS:302962-49-8 Patent:WO2010139979 KEGG:D03658 DrugBank:DB01254 Patent:WO2010067374 |
|
| 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). |
|
| formula |
C22H26ClN7O2S |
|
| 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 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:38943 CHEBI:49372 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dasatinib (anh.) anh. dasatinib anhydrous dasatinib dasatinibum BMS Dasatinib BMS-354825 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE dasatinib |
|
| 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 |
|
| is conjugate base of | ||
| label |
dasatinib (anhydrous) |
|
| mass |
488.00652 |
|
| monoisotopicmass |
487.15572 |
|
| notation |
CHEBI:49375 |
|
| prefLabel |
dasatinib (anhydrous) |
|
| smiles |
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_46848 http://purl.obolibrary.org/obo/CHEBI_38338 http://purl.obolibrary.org/obo/CHEBI_38418 |