BCI-215 (CHEBI:143128)

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ChEBI Name	BCI-215

ChEBI ID	CHEBI:143128

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

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Formula

C22H22BrNO

Net Charge

Average Mass

396.328

Monoisotopic Mass

395.08848

InChI

InChI=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+

InChIKey

JGWQWVVSCQBAFC-DEDYPNTBSA-N

SMILES

O=C1\C(\C(NC2CCCCC2)C=3C1=CC=C(C3)Br)=C\C=4C=CC=CC4

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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 Number	Type	Source
1245792-67-9	CAS Registry Number	ChEBI

Last Modified

13 November 2019