CHEBI:90545 - ZSTK-474

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ChEBI Name ZSTK-474
ChEBI ID CHEBI:90545
Definition A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group.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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
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Formula C19H21F2N7O2
Net Charge 0
Average Mass 417.413
Monoisotopic Mass 417.172
InChI InChI=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
InChIKey HGVNLRPZOWWDKD-UHFFFAOYSA-N
SMILES C1COCCN1C=2N=C(N=C(N2)N3CCOCC3)N4C=5C=CC=CC5N=C4C(F)F
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine ChemIDplus
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine ChEBI
2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole ChEBI
4,4'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine ChEBI
ZSTK 474 ChemIDplus
ZSTK474 ChEBI
Manual Xrefs Databases
LSM-1053 LINCS
ZS4 PDBeChem
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Registry Numbers Types Sources
11677260 Reaxys Registry Number Reaxys
475110-96-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
24 February 2016