Preferred Name |
bortezomib |
|
Synonyms |
N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide [(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid bortezomib N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE PS 341 PS-341 Velcade |
|
Definitions |
L-Phenylalaninamide substituted at the amide nitrogen by a 1-(dihydroxyboranyl)-3-methylbutyl group and at N(alpha) by a pyrazin-2-ylcarbonyl group. It is a dipeptidyl boronic acid that reversibly inhibits the 26S proteasome. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_52717 |
|
charge |
0 |
|
database_cross_reference |
PDBeChem:BO2 LINCS:LSM-6281 Wikipedia:Bortezomib DrugBank:DB00188 PMID:18484921 KEGG:D03150 PMID:21504411 PMID:21865767 PMID:18980173 CAS:179324-69-7 Reaxys:8723817 Drug_Central:391 |
|
definition |
L-Phenylalaninamide substituted at the amide nitrogen by a 1-(dihydroxyboranyl)-3-methylbutyl group and at N(alpha) by a pyrazin-2-ylcarbonyl group. It is a dipeptidyl boronic acid that reversibly inhibits the 26S proteasome. |
|
formula |
C19H25BN4O4 |
|
has functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_37670 |
|
has_alternative_id |
CHEBI:41143 |
|
has_exact_synonym |
N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide [(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid bortezomib |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE PS 341 PS-341 Velcade bortezomib |
|
id |
CHEBI:52717 |
|
in_subset | ||
inchi |
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 |
|
inchikey |
GXJABQQUPOEUTA-RDJZCZTQSA-N |
|
label |
bortezomib |
|
mass |
384.23700 |
|
monoisotopicmass |
384.19689 |
|
notation |
CHEBI:52717 |
|
prefLabel |
bortezomib |
|
smiles |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_22475 |