CHEBI:138841 - prinomastat hydrochloride

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ChEBI Name prinomastat hydrochloride
ChEBI ID CHEBI:138841
Definition A hydrochloride resulting from the formal reaction of equimolar amounts of prinomastat and hydrogen chloride. A selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sabrina Toro
Supplier Information
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Formula C18H22ClN3O5S2
Net Charge 0
Average Mass 459.970
Monoisotopic Mass 459.06894
InChI InChI=1S/C18H21N3O5S2.ClH/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14;/h3-10,16,23H,11-12H2,1-2H3,(H,20,22);1H/t16-;/m0./s1
InChIKey UQGWXXLNXBRNBU-NTISSMGPSA-N
SMILES S(=O)(=O)(N1[C@H](C(SCC1)(C)C)C(=O)NO)C2=CC=C(OC3=CC=NC=C3)C=C2.Cl
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).
matrix metalloproteinase inhibitor

Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing prinomastat hydrochloride (CHEBI:138841) has part prinomastat(1+) (CHEBI:138886)
prinomastat hydrochloride (CHEBI:138841) has role antineoplastic agent (CHEBI:35610)
prinomastat hydrochloride (CHEBI:138841) has role EC 3.4.24.35 (gelatinase B) inhibitor (CHEBI:79088)
prinomastat hydrochloride (CHEBI:138841) has role matrix metalloproteinase inhibitor (CHEBI:50664)
prinomastat hydrochloride (CHEBI:138841) is a hydrochloride (CHEBI:36807)
IUPAC Name
(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide hydrochloride
Synonyms Sources
AG 3340 HCl ChEBI
AG 3340 hydrochloride SUBMITTER
AG-3340 HCl ChEBI
AG-3340 hydrochloride ChEBI
AG3340 HCl ChEBI
AG3340 hydrochloride ChEBI
prinomastat HCl ChEBI
Registry Numbers Types Sources
1435779-45-5 CAS Registry Number ChemIDplus
30263785 Reaxys Registry Number Reaxys
Last Modified
27 October 2017