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CHEBI:63770 - necrosulfonamide

ChEBI IDCHEBI:63770
ChEBI Namenecrosulfonamide
Stars
DefinitionA sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway.
Last Modified26 September 2023
SubmitterSandra Orchard
DownloadsMolfile
FormulaC18H15N5O6S2
Net Charge0
Average Mass461.481
Monoisotopic Mass461.04638
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+
InChIKeyFNPPHVLYVGMZMZ-XBXARRHUSA-N
Roles Classification
Biological Role:
necroptosis inhibitor  Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms.
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
necrosulfonamide (CHEBI:63770) has role necroptosis inhibitor (CHEBI:167704)
necrosulfonamide (CHEBI:63770) has role neuroprotective agent (CHEBI:63726)
necrosulfonamide (CHEBI:63770) is a pyrazines (CHEBI:38314)
necrosulfonamide (CHEBI:63770) is a sulfonamide (CHEBI:35358)
necrosulfonamide (CHEBI:63770) is a thiophenes (CHEBI:26961)
IUPAC Name 
(2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)prop-2-enamide
Synonym  Source
(E)-N-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamideChEBI
Citations