MMP-9-IN-1 (CHEBI:156264)

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ChEBI Name	MMP-9-IN-1

ChEBI ID	CHEBI:156264

Definition	A secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor.

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

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

Formula

C16H17F2N3O3S

Net Charge

Average Mass

369.390

Monoisotopic Mass

369.09587

InChI

InChI=1S/C16H17F2N3O3S/c1-2-3-11-8-13(22)21-16(20-11)25-9-14(23)19-10-4-6-12(7-5-10)24-15(17)18/h4-8,15H,2-3,9H2,1H3,(H,19,23)(H,20,21,22)

InChIKey

OLTRRVUORWPRGF-UHFFFAOYSA-N

SMILES

S(C1=NC(C=C(N1)CCC)=O)CC(NC=2C=CC(=CC2)OC(F)F)=O

Roles Classification
Biological Role(s):	EC 3.4.24.35 (gelatinase B) inhibitor An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of gelatinase B (EC 3.4.24.35).

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

ChEBI Ontology
Outgoing	MMP-9-IN-1 (CHEBI:156264) has role antineoplastic agent (CHEBI:35610) MMP-9-IN-1 (CHEBI:156264) has role EC 3.4.24.35 (gelatinase B) inhibitor (CHEBI:79088) MMP-9-IN-1 (CHEBI:156264) is a aromatic compound (CHEBI:33655) MMP-9-IN-1 (CHEBI:156264) is a organic sulfide (CHEBI:16385) MMP-9-IN-1 (CHEBI:156264) is a organofluorine compound (CHEBI:37143) MMP-9-IN-1 (CHEBI:156264) is a pyrimidone (CHEBI:38337) MMP-9-IN-1 (CHEBI:156264) is a secondary carboxamide (CHEBI:140325)

IUPAC Name

N-[4-(difluoromethoxy)phenyl]-2-[(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide

Synonyms	Sources
MMP-9-IN-1	SUBMITTER
MMP-9-IN1	ChEBI
MMP9-IN-1	ChEBI
N-(4-(difluoromethoxy)phenyl)-2-((6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)thio)acetamide	ChEBI
N-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide	SUBMITTER
OUN 87710	ChEBI
OUN-87710	ChEBI
OUN87710	ChEBI

Registry Number	Type	Source
502887-71-0	CAS Registry Number	ChEBI

Last Modified

30 July 2020