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CHEBI:92777 - ML228

ChEBI IDCHEBI:92777
ChEBI NameML228
Stars
DefinitionA 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.
Last Modified7 December 2016
DownloadsMolfile
FormulaC27H21N5
Net Charge0
Average Mass415.500
Monoisotopic Mass415.17970
SMILESc1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1
InChIInChI=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)
InChIKeyQNRODODTMXCRKU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
hypoxia-inducible factor pathway activator  An activator that activates the hypoxia inducible factor (HIF) pathway.
ChEBI Ontology
Outgoing Relation(s)
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  Source
N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amineChEBI
ML-228ChEBI
LSM-2978LINCS
ML228 probeChEBI
6-phenyl-N-[(4-phenylphenyl)methyl]-3-(2-pyridinyl)-1,2,4-triazin-5-amineLINCS
Manual XrefsDatabases
LSM-2978LINCS
Registry NumbersSources
Reaxys:22196087Reaxys
Citations