loading...| Preferred Name | dabrafenib | |
| Synonyms |
dabrafenib N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
|
| Definitions |
An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_75045 |
|
| alternative term |
dabrafenib N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_75047 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:1195765-45-7 PMID:23276366 PMID:23795808 PMID:23317446 PMID:23881668 PMID:23617957 PMID:23552670 PMID:23621583 PMID:23714462 PMID:23807941 PMID:22981500 PMID:23709751 PMID:23846776 PMID:23403819 PMID:23463215 PMID:23537694 PMID:23870055 PMID:23290787 PMID:23844038 PMID:23470635 Reaxys:19689971 PMID:23249624 Patent:WO2011047238 PMID:23656699 LINCS:LSM-6303 PMID:23515890 PMID:23833299 PMID:23237741 PMID:23608920 KEGG:D10064 Wikipedia:Dabrafenib Drug_Central:4801 |
|
| definition |
An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. |
|
| formula |
C23H20F3N5O2S2 |
|
| has_exact_synonym |
N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
dabrafenib |
|
| id |
CHEBI:75045 |
|
| in_subset | ||
| inchi |
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29) |
|
| inchikey |
BFSMGDJOXZAERB-UHFFFAOYSA-N |
|
| label |
dabrafenib |
|
| mass |
519.56200 |
|
| monoisotopicmass |
519.10105 |
|
| notation |
CHEBI:75045 |
|
| prefLabel |
dabrafenib |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_75047 |
|
| smiles |
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 http://purl.obolibrary.org/obo/CHEBI_37143 |