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CHEBI:90545 - ZSTK-474

ChEBI IDCHEBI:90545
ChEBI NameZSTK-474
Stars
DefinitionA triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase.
Last Modified24 February 2016
Submittermziehm
DownloadsMolfile
FormulaC19H21F2N7O2
Net Charge0
Average Mass417.420
Monoisotopic Mass417.17248
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
InChIKeyHGVNLRPZOWWDKD-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ZSTK-474 (CHEBI:90545) has role antineoplastic agent (CHEBI:35610)
ZSTK-474 (CHEBI:90545) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
ZSTK-474 (CHEBI:90545) is a benzimidazoles (CHEBI:22715)
ZSTK-474 (CHEBI:90545) is a morpholines (CHEBI:38785)
ZSTK-474 (CHEBI:90545) is a organofluorine compound (CHEBI:37143)
ZSTK-474 (CHEBI:90545) is a triamino-1,3,5-triazine (CHEBI:38175)
IUPAC Name 
1-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-(difluoromethyl)-1H-benzimidazole
Synonyms  Source
ZSTK 474ChemIDplus
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazineChemIDplus
ZSTK474ChEBI
2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazoleChEBI
4,4'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholineChEBI
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazineChEBI
Manual XrefsDatabases
ZS4PDBeChem
LSM-1053LINCS
Registry NumbersSources
Reaxys:11677260Reaxys
CAS:475110-96-4ChemIDplus
Citations