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CHEBI:138841 - prinomastat hydrochloride

ChEBI IDCHEBI:138841
ChEBI Nameprinomastat hydrochloride
Stars
DefinitionA 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.
Last Modified27 October 2017
Submittersabrina, zfin
DownloadsMolfile
FormulaC18H21N3O5S2.HCl
Net Charge0
Average Mass459.977
Monoisotopic Mass459.06894
SMILESCC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO.Cl
InChIInChI=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
InChIKeyUQGWXXLNXBRNBU-NTISSMGPSA-N
Roles Classification
Biological Roles:
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)
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  Source
AG 3340 hydrochlorideSUBMITTER
AG 3340 HClChEBI
AG-3340 HClChEBI
AG3340 HClChEBI
AG3340 hydrochlorideChEBI
AG-3340 hydrochlorideChEBI
Registry NumbersSources
Reaxys:30263785Reaxys
CAS:1435779-45-5ChemIDplus