CHEBI:132984 - RO4927350

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name RO4927350
ChEBI ID CHEBI:132984
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C27H28N4O6S
Net Charge 0
Average Mass 536.602
Monoisotopic Mass 536.17296
InChI InChI=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
InChIKey RKKBPPTYPGTSEA-FNVCAUGXSA-N
SMILES C=1(C=CC=CC1)[C@@H]([C@@H](C(NC=2SC=C(N2)C(=O)CC)=O)N3C(N[C@@](C3=O)(C=4C=CC(=CC4)OCCO)[H])=O)C
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Ro 4927350 ChEBI
RO-4927350 ChEBI
Registry Numbers Types Sources
12496836 Reaxys Registry Number Reaxys
876755-27-0 CAS Registry Number ChEBI
Citation Waiting for Citations Type Source
19244124 PubMed citation Europe PMC
Last Modified
07 March 2018