CHEBI:138840 - MMP9 inhibitor I

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ChEBI Name MMP9 inhibitor I
ChEBI ID CHEBI:138840
Definition A hydroxamic acid that is N-hydroxy-3-methylbenzamide in which the the hydrogens at positions 2 and 5 have been replaced by benzyl[(4-methoxyphenyl)sulfonyl]amino and (diethylamino)methyl groups, respectively. It is a cell-permeable, potent, selective, and reversible inhibitor of matrix metallopeptidase-9 (MMP-9, EC 3.4.24.35).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
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Formula C27H33N3O5S
Net Charge 0
Average Mass 511.635
Monoisotopic Mass 511.21409
InChI InChI=1S/C27H33N3O5S/c1-5-29(6-2)18-22-16-20(3)26(25(17-22)27(31)28-32)30(19-21-10-8-7-9-11-21)36(33,34)24-14-12-23(35-4)13-15-24/h7-17,32H,5-6,18-19H2,1-4H3,(H,28,31)
InChIKey WRNMBFWQBKEBIX-UHFFFAOYSA-N
SMILES C=1(C=C(C=C(C1N(S(C=2C=CC(=CC2)OC)(=O)=O)CC=3C=CC=CC3)C(=O)NO)CN(CC)CC)C
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 3.4.24.35 (gelatinase B) inhibitor
An EC 3.4.24.* (metalloendopeptidase) inhibitor that interferes with the action of gelatinase B (EC 3.4.24.35).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing MMP9 inhibitor I (CHEBI:138840) has role EC 3.4.24.35 (gelatinase B) inhibitor (CHEBI:79088)
MMP9 inhibitor I (CHEBI:138840) is a aromatic ether (CHEBI:35618)
MMP9 inhibitor I (CHEBI:138840) is a hydroxamic acid (CHEBI:24650)
MMP9 inhibitor I (CHEBI:138840) is a sulfonamide (CHEBI:35358)
MMP9 inhibitor I (CHEBI:138840) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
2-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-5-[(diethylamino)methyl]-N-hydroxy-3-methylbenzamide
Synonym Source
MMP9-I SUBMITTER
Registry Numbers Types Sources
1177749-58-4 CAS Registry Number SUBMITTER
9095110 Reaxys Registry Number Reaxys
Last Modified
15 November 2017