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Chemical structure of Necrosulfonamide-d4

GC49681

Necrosulfonamide-d4

Also known as (E)-3-(5-nitrothiophen-2-yl)-N-[2,3,5,6-tetradeuterio-4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]prop-2-enamide

Necrosulfonamide-d4 is the deuterium labeled Necrosulfonamide· Necrosulfonamide is a necroptosis inhibitor acting by selectively targeting the mixed lineage kinase domain-like protein (MLKL)· Necrosulfonamide prevents MLKL-RIP1-RIP3 necrosome complex from interacting with its downstream effectors· MLKL is a critical substrate of RIP3 during the induction of necrosis

ChemicalCAS1795144-22-7MW465.5FormulaC18H11D4N5O6S2
CAS number
1795144-22-7
Molecular weight
465.5
Formula
C18H11D4N5O6S2
Solubility
DMSO： slightly soluble,Methanol： slightly soluble
InChIKey
FNPPHVLYVGMZMZ-GTQWLDGCSA-N
Catalogue number
GC49681
Brand
GLPBIO
Computed properties PubChem CID 71750974 · XLogP 2.5 · TPSA 193 Ų · H-bond donors 2
XLogP
2.5
TPSA
193 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
31

SMILES [2H]C1=C(C(=C(C(=C1NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])[2H])[2H])S(=O)(=O)NC3=NC=CN=C3OC)[2H]

Computed descriptors from PubChem (CID 71750974), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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