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ML 228

CAT: 0607-A4508-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A4508-50Size:50 mg
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Description
HIF pathway activator
CAS Number
1357171-62-0
Product Name Alternative
N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
Field of Research
Chromatin Epigenetics HIF
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
C1(C2=NC=CC=C2)=NC(NCC3=CC=C(C4=CC=CC=C4)C=C3)=C(C5=CC=CC=C5)N=N1
Molecular Formula
C27H21N5
Molecular Weight
415.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

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

ML228 is 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. It has a role as a hypoxia-inducible factor pathway activator. It is a member of biphenyls, a member of pyridines, a member of 1,2,4-triazines and a secondary amino compound.

CAS Number1357171-62-0
PubChem CID46742353
IUPAC Name6-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amine
Molecular FormulaC27H21N5
Molecular Weight415.5
XLogP4.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity536
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC3=C(N=NC(=N3)C4=CC=CC=N4)C5=CC=CC=C5
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
Chemical Structure
2D Structure
2D structure of N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
CAS: 1357171-62-0
CID: 46742353
Formula: C27H21N5
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass415.17969569
Monoisotopic Mass415.17969569
Topological Polar Surface Area63.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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