loading...| Preferred Name |
dasatinib (anhydrous) |
|
| Synonyms |
dasatinib (anh.) C22H26ClN7O2S N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide 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 |
http://purl.obolibrary.org/obo/CHEBI_49375 |
|
| altId |
CHEBI:38943 CHEBI:49372 |
|
| ATCCode |
L01XE06 |
|
| blocks |
http://purl.obolibrary.org/obo/dinto_1681 |
|
| CASRN |
302962-49-8 |
|
| DBBrand |
sprycel |
|
| DBname |
dasatinib |
|
| DBSynonym |
bms-354825 |
|
| 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). |
|
| has pharmacological target |
http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_2203 http://purl.obolibrary.org/obo/dinto_2207 |
|
| has role | ||
| 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 |
InChIKey=ZBNZXTGUTAYRHI-UHFFFAOYSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_4092 http://purl.obolibrary.org/obo/dinto_0883 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0269 http://purl.obolibrary.org/obo/dinto_0901 |
|
| is transported by | ||
| label |
dasatinib (anhydrous) |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/CHEBI_8776 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_8768 http://purl.obolibrary.org/obo/CHEBI_10119 http://purl.obolibrary.org/obo/CHEBI_9635 http://purl.obolibrary.org/obo/CHEBI_45716 http://purl.obolibrary.org/obo/CHEBI_7915 http://purl.obolibrary.org/obo/CHEBI_7772 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_195280 |
|
| prefixIRI |
obo2:CHEBI_49375 |
|
| prefLabel |
dasatinib (anhydrous) |
|
| related with |
http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_2203 http://purl.obolibrary.org/obo/dinto_2207 |
|
| SMILES |
CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 |
|
| Synonym |
dasatinib (anh.) C22H26ClN7O2S N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide 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 |
|
| xref |
CiteXplore:22411867 Reaxys:9966762 CiteXplore:18823558 CiteXplore:22992064 Wikipedia:http://en.wikipedia.org/wiki/Dasatinib CiteXplore:23065516 CiteXplore:19494352 ChEMBL:461469 PubChem Compound:3062316 RxList:http://www.rxlist.com/cgi/generic/sprycel.htm CiteXplore:19640584 HMDB:HMDB15384 BindingDB:13216 Patent:US7941725 Patent:US7125875 Drugs.com:http://www.drugs.com/cdi/dasatinib.html PubChem Substance:46505143 CASRN:302962-49-8 ChemSpider:2323020 CiteXplore:17154512 PDBeChem:1N1 ChEBI:49375 CiteXplore:22740998 National Drug Code Directory:0003-0527-11 PharmGKB:PA162372878 CiteXplore:18784745 CiteXplore:18797457 KEGG DRUG:D03658 CiteXplore:19502192 Wikipedia:Dasatinib CiteXplore:18020922 Patent:WO2010139979 CiteXplore:16775234 DrugBank:DB01254 CiteXplore:21226671 Patent:WO2010067374 |
|
| subClassOf |