ML228 (CHEBI:92777)

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ChEBI Name	ML228

ChEBI ID	CHEBI:92777

Definition	A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.

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

Supplier Information

Download	Molfile XML SDF

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Formula

C27H21N5

Net Charge

Average Mass

415.490

Monoisotopic Mass

415.17970

InChI

InChI=1S/C27H21N5/c1-3-9-21(10-4-1)22-16-14-20(15-17-22)19-29-27-25(23-11-5-2-6-12-23)31-32-26(30-27)24-13-7-8-18-28-24/h1-18H,19H2,(H,29,30,32)

InChIKey

QNRODODTMXCRKU-UHFFFAOYSA-N

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5

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):	hypoxia-inducible factor pathway activator An activator that activates the hypoxia inducible factor (HIF) pathway.

ChEBI Ontology
Outgoing	ML228 (CHEBI:92777) has role hypoxia-inducible factor pathway activator (CHEBI:134083) ML228 (CHEBI:92777) is a 1,2,4-triazines (CHEBI:39410) ML228 (CHEBI:92777) is a biphenyls (CHEBI:22888) ML228 (CHEBI:92777) is a pyridines (CHEBI:26421) ML228 (CHEBI:92777) is a secondary amino compound (CHEBI:50995)

IUPAC Name

N-([biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine

Synonyms	Sources
6-phenyl-N-[(4-phenylphenyl)methyl]-3-(2-pyridinyl)-1,2,4-triazin-5-amine	LINCS
LSM-2978	LINCS
ML-228	ChEBI
ML228 probe	ChEBI
N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine	ChEBI

Registry Number	Type	Source
22196087	Reaxys Registry Number	Reaxys

Last Modified

07 December 2016