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CHEBI:231684 - MCC950

Default Structure
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:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
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
CP-456,773ChEBI
CP-456773SUBMITTER
CRID3SUBMITTER
cytokine release inhibitory drug 3ChEBI
MCC 950ChEBI
MCC-950SUBMITTER
Registry NumbersSources
CAS:210826-40-7SUBMITTER
Citations