ZSTK-474 (CHEBI:90545)

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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Definition	A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group.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

Download	Molfile XML SDF

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Formula

C19H21F2N7O2

Net Charge

Average Mass

417.413

Monoisotopic Mass

417.17248

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.

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

Last Modified

24 February 2016