resminostat (CHEBI:231352)

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ChEBI Name	resminostat

ChEBI ID	CHEBI:231352

Definition	An enamide resulting from the formal condensation of the carboxy group of (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]prop-2-enoic acid with the amino group of hydroxylamine. It is an orally bioavailable inhibitor of histone deacetylases with potential antineoplastic activity.

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

Submitter	Delphine Zhou

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Formula

C16H19N3O4S

Net Charge

Average Mass

349.410

Monoisotopic Mass

349.10963

InChI

InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+

InChIKey

FECGNJPYVFEKOD-VMPITWQZSA-N

SMILES

CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=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). 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	resminostat (CHEBI:231352) has role antineoplastic agent (CHEBI:35610) resminostat (CHEBI:231352) has role apoptosis inducer (CHEBI:68495) resminostat (CHEBI:231352) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) resminostat (CHEBI:231352) is a benzenes (CHEBI:22712) resminostat (CHEBI:231352) is a enamide (CHEBI:51751) resminostat (CHEBI:231352) is a hydroxamic acid (CHEBI:24650) resminostat (CHEBI:231352) is a pyrroles (CHEBI:26455) resminostat (CHEBI:231352) is a sulfonamide (CHEBI:35358) resminostat (CHEBI:231352) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide

Registry Number	Type	Source
864814-88-0	CAS Registry Number	SUBMITTER

Last Modified

24 May 2024