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CHEBI:228345 - ZCAN262

ChEBI IDCHEBI:228345
ChEBI NameZCAN262
Stars
DefinitionA member of the class of pyrrolopyrazoles that is 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole substituted by 2,4-difluorobenzyl and 4-(dimethylcarbamoyl)pyrimidin-2-yl groups at positions 2 and 5, respectively. It targets the AMPA receptor GluA2 subunit and exhibits potent effects in restoring neurological function and myelination in mouse models for multiple sclerosis.
Last Modified22 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC19H18F2N6O
Net Charge0
Average Mass384.390
Monoisotopic Mass384.15102
SMILESCN(C)C(=O)c1ccnc(N2Cc3cn(Cc4ccc(F)cc4F)nc3C2)n1
InChIInChI=1S/C19H18F2N6O/c1-25(2)18(28)16-5-6-22-19(23-16)26-8-13-10-27(24-17(13)11-26)9-12-3-4-14(20)7-15(12)21/h3-7,10H,8-9,11H2,1-2H3
InChIKeyJYKQUGHLYOBLQZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
AMPA receptor antagonist  An antagonist at the AMPA receptor.
ChEBI Ontology
Outgoing Relation(s)
ZCAN262 (CHEBI:228345) has role AMPA receptor antagonist (CHEBI:71014)
ZCAN262 (CHEBI:228345) is a difluorobenzene (CHEBI:38582)
ZCAN262 (CHEBI:228345) is a pyrimidinecarboxamide (CHEBI:48438)
ZCAN262 (CHEBI:228345) is a pyrrolopyrazole (CHEBI:46866)
ZCAN262 (CHEBI:228345) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
2-[2-(2,4-difluorobenzyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-N,N-dimethylpyrimidine-4-carboxamide
Citations