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CHEBI:231684 - MCC950

ChEBI IDCHEBI:231684
ChEBI NameMCC950
Stars
DefinitionA member of the class of s-indacenes that is 1,2,3,5,6,7-hexahydro-s-indacene substituted by a ({[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl}carbamoyl)amino group at position 4. It is a potent and selective NLRP3 inhibitor.
Last Modified6 September 2024
Submitteramillett1
DownloadsMolfile
FormulaC20H24N2O5S
Net Charge0
Average Mass404.488
Monoisotopic Mass404.14059
SMILESCC(C)(O)c1coc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
InChIInChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
InChIKeyHUUSXLKCTQDPGL-UHFFFAOYSA-N
Roles Classification
Biological Role:
NLRP3 inhibitor  Any inhibitor of NLRP3.
Applications:
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
MCC950 (CHEBI:231684) has role anti-inflammatory agent (CHEBI:67079)
MCC950 (CHEBI:231684) has role neuroprotective agent (CHEBI:63726)
MCC950 (CHEBI:231684) has role NLRP3 inhibitor (CHEBI:231916)
MCC950 (CHEBI:231684) has role renoprotective agent (CHEBI:231911)
MCC950 (CHEBI:231684) is a N-sulfonylurea (CHEBI:76983)
MCC950 (CHEBI:231684) is a s-indacenes (CHEBI:51125)
MCC950 (CHEBI:231684) is a furans (CHEBI:24129)
MCC950 (CHEBI:231684) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide
Synonyms  Source
MCC-950SUBMITTER
CRID3SUBMITTER
CP-456773SUBMITTER
MCC 950ChEBI
cytokine release inhibitory drug 3ChEBI
CP-456,773ChEBI
Registry NumbersSources
CAS:210826-40-7SUBMITTER
Citations