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CHEBI:156264 - MMP-9-IN-1

ChEBI IDCHEBI:156264
ChEBI NameMMP-9-IN-1
Stars
DefinitionA 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.
Last Modified30 July 2020
SubmitterCeri
DownloadsMolfile
FormulaC16H17F2N3O3S
Net Charge0
Average Mass369.393
Monoisotopic Mass369.09587
SMILESCCCc1cc(=O)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)n1
InChIInChI=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)
InChIKeyOLTRRVUORWPRGF-UHFFFAOYSA-N
Roles Classification
Biological Role:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamideSUBMITTER
MMP-9-IN-1SUBMITTER
MMP-9-IN1ChEBI
OUN-87710ChEBI
MMP9-IN-1ChEBI
OUN 87710ChEBI
Registry NumbersSources
CAS:502887-71-0ChEBI
Citations