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CHEBI:143128 - BCI-215

ChEBI IDCHEBI:143128
ChEBI NameBCI-215
Stars
DefinitionAn aromatic ketone that is 2,3-dihydro-1H-inden-1-one which is substituted at positions 2, 3, and 5 by (E)-benzylidene, cyclohexylamino, and bromine, respectively. A hyperactivator of fibroblast growth factor signaling in transgenic zebrafish that is devoid of developmental toxicity and restores defective MAPK activity caused by overexpression of DUSP1 and DUSP6 in mammalian cells.
Last Modified13 November 2019
SubmitterCeri
DownloadsMolfile
FormulaC22H22BrNO
Net Charge0
Average Mass396.328
Monoisotopic Mass395.08848
SMILESO=C1/C(=C/c2ccccc2)C(NC2CCCCC2)c2cc(Br)ccc21
InChIInChI=1S/C22H22BrNO/c23-16-11-12-18-19(14-16)21(24-17-9-5-2-6-10-17)20(22(18)25)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,21,24H,2,5-6,9-10H2/b20-13+
InChIKeyJGWQWVVSCQBAFC-DEDYPNTBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BCI-215 (CHEBI:143128) has role antineoplastic agent (CHEBI:35610)
BCI-215 (CHEBI:143128) has role apoptosis inducer (CHEBI:68495)
BCI-215 (CHEBI:143128) is a aromatic ketone (CHEBI:76224)
BCI-215 (CHEBI:143128) is a enone (CHEBI:51689)
BCI-215 (CHEBI:143128) is a indanones (CHEBI:24789)
BCI-215 (CHEBI:143128) is a organobromine compound (CHEBI:37141)
BCI-215 (CHEBI:143128) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
(2E)-2-benzylidene-5-bromo-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
Registry NumbersSources
CAS:1245792-67-9ChEBI
Citations