CHEBI:63770 - necrosulfonamide

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ChEBI Name necrosulfonamide
ChEBI ID CHEBI:63770
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Sandra Orchard
Supplier Information
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Formula C18H15N5O6S2
Net Charge 0
Average Mass 461.47200
Monoisotopic Mass 461.04638
InChI InChI=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+
InChIKey FNPPHVLYVGMZMZ-XBXARRHUSA-N
SMILES COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1
ChEBI Ontology
Outgoing 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)acrylamide ChEBI
Citation Waiting for Citations Type Source
22265413 PubMed citation Europe PMC
Last Modified
30 January 2012