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 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 |
|
| 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: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 PMID:22411867 PMID:19640584 PMID:22740998 Wikipedia:Dasatinib PMID:22992064 PMID:19502192 Patent:US7941725 Patent:WO2010067374 PMID:18020922 Patent:US7125875 PMID:18797457 PMID:19494352 PMID:21226671 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). |
|
| formula |
C22H26ClN7O2S |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:38943 CHEBI:49372 |
|
| 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_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 |
|
| 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 |