Cell Culture Ontology

Last uploaded: July 23, 2014
Preferred Name

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

SNOMEDCT:423658008

MeSH:C488369

NCIt:C38713

SNOMEDCT:422756008

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_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

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

has_role

http://purl.obolibrary.org/obo/CHEBI_35610

id

CHEBI:49375

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

smiles

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24532

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