EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:134602 - MI-63

ChEBI IDCHEBI:134602
ChEBI NameMI-63
Stars
DefinitionAn azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H35Cl2FN4O3
Net Charge0
Average Mass577.528
Monoisotopic Mass576.20702
SMILES[H][C@]1(c2cccc(Cl)c2F)[C@H](C(=O)NCCN2CCOCC2)N[C@H](CC(C)(C)C)[C@]12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1
InChIKeyYTBYOWZWBDYLQF-BGLPIVGWSA-N
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
MI-63 (CHEBI:134602) has role apoptosis inducer (CHEBI:68495)
MI-63 (CHEBI:134602) is a azaspiro compound (CHEBI:35624)
MI-63 (CHEBI:134602) is a monochlorobenzenes (CHEBI:83403)
MI-63 (CHEBI:134602) is a monofluorobenzenes (CHEBI:83575)
MI-63 (CHEBI:134602) is a morpholines (CHEBI:38785)
MI-63 (CHEBI:134602) is a oxindoles (CHEBI:38459)
MI-63 (CHEBI:134602) is a pyrrolidines (CHEBI:38260)
MI-63 (CHEBI:134602) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
(2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Registry NumbersSources
Reaxys:10506427Reaxys
Citations