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CHEBI:90828 - CHZ868

ChEBI IDCHEBI:90828
ChEBI NameCHZ868
Stars
DefinitionA memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity.
Last Modified5 January 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H19F2N5O2
Net Charge0
Average Mass423.423
Monoisotopic Mass423.15068
SMILESCC(=O)Nc1cc(Oc2ccc3c(nc(Nc4ccc(F)cc4F)n3C)c2C)ccn1
InChIInChI=1S/C22H19F2N5O2/c1-12-19(31-15-8-9-25-20(11-15)26-13(2)30)7-6-18-21(12)28-22(29(18)3)27-17-5-4-14(23)10-16(17)24/h4-11H,1-3H3,(H,27,28)(H,25,26,30)
InChIKeyKQQLBXFPTDVFAJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CHZ868 (CHEBI:90828) has role antineoplastic agent (CHEBI:35610)
CHZ868 (CHEBI:90828) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
CHZ868 (CHEBI:90828) is a acetamides (CHEBI:22160)
CHZ868 (CHEBI:90828) is a aromatic amine (CHEBI:33860)
CHZ868 (CHEBI:90828) is a aromatic ether (CHEBI:35618)
CHZ868 (CHEBI:90828) is a benzimidazoles (CHEBI:22715)
CHZ868 (CHEBI:90828) is a difluorobenzene (CHEBI:38582)
CHZ868 (CHEBI:90828) is a pyridines (CHEBI:26421)
CHZ868 (CHEBI:90828) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
N-(4-{[2-(2,4-difluoroanilino)-1,4-dimethyl-1H-benzimidazol-5-yl]oxy}pyridin-2-yl)acetamide
Synonyms  Source
CHZ 868ChEBI
CHZ-868ChEBI
N-[4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-1,4-dimethyl-benzimidazol-5-yl]oxypyridin-2-yl]ethanamideChEBI
Citations