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CHEBI:132984 - RO4927350

ChEBI IDCHEBI:132984
ChEBI NameRO4927350
Stars
DefinitionA carboxamide resulting from the formal condensation of the primary amino group of 4-propanoyl-1,3-thiazol-2-amine with the carboxy group of a 3-phenylbutiyric acid which has been substituted at position 2 by a (4R)-4-[p-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl group. It is a potent, highly selective inhibitormitogen-activated protein kinase 1/2 inhibitor.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H28N4O6S
Net Charge0
Average Mass536.610
Monoisotopic Mass536.17296
SMILES[H][C@]1(c2ccc(OCCO)cc2)NC(=O)N([C@H](C(=O)Nc2nc(C(=O)CC)cs2)[C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C27H28N4O6S/c1-3-21(33)20-15-38-26(28-20)30-24(34)23(16(2)17-7-5-4-6-8-17)31-25(35)22(29-27(31)36)18-9-11-19(12-10-18)37-14-13-32/h4-12,15-16,22-23,32H,3,13-14H2,1-2H3,(H,29,36)(H,28,30,34)/t16-,22+,23-/m0/s1
InChIKeyRKKBPPTYPGTSEA-FNVCAUGXSA-N
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
RO4927350 (CHEBI:132984) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
RO4927350 (CHEBI:132984) is a 1,3-thiazoles (CHEBI:38418)
RO4927350 (CHEBI:132984) is a aromatic ketone (CHEBI:76224)
RO4927350 (CHEBI:132984) is a imidazolidine-2,4-dione (CHEBI:24628)
RO4927350 (CHEBI:132984) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
Synonyms  Source
RO-4927350ChEBI
Ro 4927350ChEBI
Registry NumbersSources
Reaxys:12496836Reaxys
CAS:876755-27-0ChEBI
Citations