(E)-N-(4-(N-(3-Methoxypyrazin-2-yl)sulfamoyl)-phenyl)-3-(5-nitrothiophen-2-yl)acrylamide
Basic information
- CAS
1795144-22-7- Standard SMILES
COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1- InChIKey
FNPPHVLYVGMZMZ-UHFFFAOYSA-N- Molecular formula
- C18H15N5O6S2
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.04637556
Names & identifiers
- Preferred name
- (E)-N-(4-(N-(3-Methoxypyrazin-2-yl)sulfamoyl)-phenyl)-3-(5-nitrothiophen-2-yl)acrylamide
- IUPAC
- N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
- English name
- NecrosulfonaMide-d4
- Molecular formula
- C18H15N5O6S2
- Molecular weight
- 461.47
Names & synonyms
C18H15N5O6S2(E/Z)-NecrosulfonamideN-(4-(N-(3-methoxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide(E)-NecrosulfonamideSCHEMBL17509590Necrosulfonami(E)-N-(4-(N-(3-Methoxypyrazin-2-yl)sulfamoyl)-phenyl)-3-(5-nitrothiophen-2-yl)acrylamideN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamideNecrosulfonamide(b)orb1300044SCHEMBL31457418VWC14422
Show more names
NecrosulfonaMide-d4N-[4-[[(3-Methoxypyrazinyl)aMino]sulfonyl](phenyl]-d4)-3-(5-nitro-2-thienyl)-2-propenaMide(E)-N-[4-[N-(3-Methoxypyrazin-2-yl)sulfaMoyl](phenyl-d4)]-3-(5-nitrothiophene-2-yl)acrylaMide
AKOS030233287AB88236PD065330DB-335078H41484MLKL Inhibitor, Necrosulfonamide - CAS 432531-71-0 - CalbiochemN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitro-2-thienyl)prop-2-enamideN-[4-[[(3-Methoxypyrazinyl)amino]sulfonyl]phenyl]-3-(5-nitro-2-thienyl)-2-propenamide
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Melting point
- 200 °C · >200°C (dec.)
- storage temp.
- Amber Vial, Refrigerator, Under Inert Atmosphere
- solubility
- DMSO, Methanol
- form
- Solid
- color
- Pale Yellow
- Stability
- Light Sensitive
Chemistry & industry
Applications
UsesLabelled Necrosulfonamide. Necrosulfonamide specifically blocks necrosis downstream of receptor-interacting serine-threonine kinase 3 (RIP3) activation. RIP3 is a key signalling molecule in the programmed necrosis (necroptosis) pathway.
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Compound notes
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