loading...| 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 |
|
| 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 |
|
| alternative term |
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 |
|
| charge |
0 |
|
| chemical effective in vitro against virus | ||
| chemical has protein target |
http://purl.obolibrary.org/obo/PR_P00519 http://purl.obolibrary.org/obo/PR_P11274 http://purl.obolibrary.org/obo/PR_P42684 http://purl.obolibrary.org/obo/PR_P09769 http://purl.obolibrary.org/obo/PR_P54760 http://purl.obolibrary.org/obo/PR_P07948 http://purl.obolibrary.org/obo/PR_Q06187 http://purl.obolibrary.org/obo/PR_P06241 http://purl.obolibrary.org/obo/PR_P11142 http://purl.obolibrary.org/obo/PR_P41240 http://purl.obolibrary.org/obo/PR_Q92570 http://purl.obolibrary.org/obo/PR_Q06203 http://purl.obolibrary.org/obo/PR_P12931 http://purl.obolibrary.org/obo/PR_P54756 http://purl.obolibrary.org/obo/PR_P42685 http://purl.obolibrary.org/obo/PR_P06239 http://purl.obolibrary.org/obo/PR_Q16539 http://purl.obolibrary.org/obo/PR_Q9NYL2 http://purl.obolibrary.org/obo/PR_P07947 http://purl.obolibrary.org/obo/PR_P51692 http://purl.obolibrary.org/obo/PR_P29317 |
|
| chemical has protein target as antagonist |
http://purl.obolibrary.org/obo/PR_P29317 |
|
| chemical has protein target as potentiator | ||
| chemical inhibits in vitro invasion of virus | ||
| chemical inhibits protein | ||
| 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 source |
PMID: 24841273; PMID: 26868298 |
|
| 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 |
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 |
|
| imported from | ||
| 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 |
|
| prefLabel |
dasatinib (anhydrous) |
|
| smiles |
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 |
|
| textual 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). |
|
| 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 http://purl.obolibrary.org/obo/CHEBI_29347 |
This ontology integrates with OntoloBridge, allowing community users to suggest additions to the public ontology. Complete the template below to submit a term request directly to the ontology maintainer.
Term Label (required)
Suggested term name. If a term can be described with multiple synonyms, only list the preferred name here.
Term description (required)
A brief definition, description, or usage of your suggested term. Additional term synonyms may be listed in this section.
Superclass (required)
The parent term of the suggested term. The parent term should be an existing entry of the current ontology. The superclass can be selected directly from Bioportal's Classes tree viewer.
References (optional)
Provide evidence for the existence of the requested term such as Pubmed IDs of papers or links to other resources that describe the term.
Justification (optional)
Provide any additional information about the requested term here.