GANT61 (CHEBI:140908)

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ChEBI Name	GANT61

ChEBI ID	CHEBI:140908

Definition	An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Sabrina Toro

Supplier Information

Download	Molfile XML SDF

Formula

C27H35N5

Net Charge

Average Mass

429.601

Monoisotopic Mass

429.28925

InChI

InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3

InChIKey

KVQOGDQTWWCZFX-UHFFFAOYSA-N

SMILES

C1(=CC=CC=C1CN2C(N(CCC2)CC=3C(=CC=CC3)N(C)C)C=4C=CN=CC4)N(C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. glioma-associated oncogene inhibitor An inhibitor of any of the glioma-associated oncogene (GLI) proteins. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	GANT61 (CHEBI:140908) has role antineoplastic agent (CHEBI:35610) GANT61 (CHEBI:140908) has role apoptosis inducer (CHEBI:68495) GANT61 (CHEBI:140908) has role glioma-associated oncogene inhibitor (CHEBI:140922) GANT61 (CHEBI:140908) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) GANT61 (CHEBI:140908) is a aminal (CHEBI:35412) GANT61 (CHEBI:140908) is a pyridines (CHEBI:26421) GANT61 (CHEBI:140908) is a substituted aniline (CHEBI:48975) GANT61 (CHEBI:140908) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

2-({3-[2-(dimethylamino)benzyl]-2-(pyridin-4-yl)tetrahydropyrimidin-1(2H)-yl}methyl)-N,N-dimethylaniline

Registry Number	Type	Source
500579-04-4	CAS Registry Number	SUBMITTER

Last Modified

01 June 2018