RGFP966 (CHEBI:131163)

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ChEBI Name	RGFP966

ChEBI ID	CHEBI:131163

Definition	A member of the class of pyrazoles that is 1H-pyrazole substituted by (1E)-1-phenylprop-1-en-3-yl and (1E)-3-(2-amino-4-fluoroanilino)-3-oxoprop-1-en-1-yl groups at positions 1 and 4, respectively. It is a histone deacetylase 3 inhibitor.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H19FN4O

Net Charge

Average Mass

362.408

Monoisotopic Mass

362.15429

InChI

InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+

InChIKey

BLVQHYHDYFTPDV-VCABWLAWSA-N

SMILES

NC1=C(NC(=O)\C=C\C2=CN(C\C=C\C3=CC=CC=C3)N=C2)C=CC(F)=C1

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):	EC 3.5.1.98 (histone deacetylase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).

Application(s):	neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	RGFP966 (CHEBI:131163) has role anti-inflammatory agent (CHEBI:67079) RGFP966 (CHEBI:131163) has role antidepressant (CHEBI:35469) RGFP966 (CHEBI:131163) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) RGFP966 (CHEBI:131163) has role neuroprotective agent (CHEBI:63726) RGFP966 (CHEBI:131163) is a aromatic amide (CHEBI:62733) RGFP966 (CHEBI:131163) is a enamide (CHEBI:51751) RGFP966 (CHEBI:131163) is a monofluorobenzenes (CHEBI:83575) RGFP966 (CHEBI:131163) is a pyrazoles (CHEBI:26410) RGFP966 (CHEBI:131163) is a substituted aniline (CHEBI:48975)

IUPAC Name

(2E)-N-(2-amino-4-fluorophenyl)-3-{1-[(2E)-3-phenylprop-2-en-1-yl]-1H-pyrazol-4-yl}prop-2-enamide

Synonyms	Sources
(2E)-N-(2-amino-4-fluorophenyl)-3-[(2E)-1-(3-phenyl-2-propen-1-yl)-1H-pyrazol-4-yl]-2-propenamide	ChEBI
(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide	ChEBI
RGFP 966	ChEBI
RGFP-966	ChEBI

Registry Number	Type	Source
1396841-57-8	CAS Registry Number	ChEBI

Last Modified

21 June 2024