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Chemical structure of MCC7840 sodium

GC62454

MCC7840 sodium

Also known as sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-propan-2-ylpyrazol-3-yl)sulfonylazanide

Emlenoflast (MCC7840) sodium, a sulfonylurea, is a potent and selective inhibitor of NLRP3 inflammasome, with an IC50 of ＜100 nM

ChemicalCAS2380032-29-9MW410.47FormulaC19H23N4NaO3S
CAS number
2380032-29-9
Molecular weight
410.47
Formula
C19H23N4NaO3S
Solubility
DMSO ： 240 mg/mL (584·70 mM; Need ultrasonic)
InChIKey
RKEFKQUKINZXDR-UHFFFAOYSA-M
Catalogue number
GC62454
Brand
GLPBIO
Computed properties PubChem CID 155971211 · TPSA 90.4 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
90.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

SMILES CC(C)N1C=CC(=N1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4.[Na+]

Computed descriptors from PubChem (CID 155971211), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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