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CHEBI:167652 - AZD2858

ChEBI IDCHEBI:167652
ChEBI NameAZD2858
Stars
DefinitionA member of the class of pyrazines that is pyrazine substituted by (pyridin-3-yl)aminocarbonyl, amino, and 4-(4-methylpiperazine-1-sulfonyl)phenyl groups at positions 2, 3 and 6, respectively. It is a potent inhibitor of GSK3α and GSK3β (IC50 values of 0.9 and 4.9 nM, respectively) and increases bone mass (via Wnt activation) in rats.
Last Modified18 March 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC21H23N7O3S
Net Charge0
Average Mass453.528
Monoisotopic Mass453.15831
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1
InChIInChI=1S/C21H23N7O3S/c1-27-9-11-28(12-10-27)32(30,31)17-6-4-15(5-7-17)18-14-24-20(22)19(26-18)21(29)25-16-3-2-8-23-13-16/h2-8,13-14H,9-12H2,1H3,(H2,22,24)(H,25,29)
InChIKeyFHCSBLWRGCOVPT-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
Wnt signalling activator  A substance that activates any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
EC 2.7.11.26 (tau-protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of tau-protein kinase inhibitor (EC 2.7.11.26).
Applications:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
AZD2858 (CHEBI:167652) has role antineoplastic agent (CHEBI:35610)
AZD2858 (CHEBI:167652) has role bone density conservation agent (CHEBI:50646)
AZD2858 (CHEBI:167652) has role EC 2.7.11.26 (tau-protein kinase) inhibitor (CHEBI:91092)
AZD2858 (CHEBI:167652) has role Wnt signalling activator (CHEBI:131492)
AZD2858 (CHEBI:167652) is a N-methylpiperazine (CHEBI:46920)
AZD2858 (CHEBI:167652) is a aromatic amine (CHEBI:33860)
AZD2858 (CHEBI:167652) is a pyrazines (CHEBI:38314)
AZD2858 (CHEBI:167652) is a pyridines (CHEBI:26421)
AZD2858 (CHEBI:167652) is a secondary carboxamide (CHEBI:140325)
AZD2858 (CHEBI:167652) is a sulfonamide (CHEBI:35358)
IUPAC Name 
3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide
Synonyms  Source
AZD 2858ChEBI
AZD-2858ChEBI
3-amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamideChEBI
Manual XrefsDatabases
GR9PDBeChem
8314492ChemSpider
Registry NumbersSources
CAS:486424-20-8ChEBI
Citations