N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
Grundinformationen
- CAS
1357171-62-0- Standard-SMILES
c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1- InChIKey
QNRODODTMXCRKU-UHFFFAOYSA-N- Summenformel
- C27H21N5
- Durchschnittliche Molmasse
- 415,5 g/mol
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
- IUPAC
- 6-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amine
- Englischer Name
- ML-228
- Summenformel
- C27H21N5
- Molmasse
- 415.49
Namen und Synonyme
1357171-62-0ML228ML-228ML 228N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amineMFCD267925706-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amineCHEMBL21449586-phenyl-N-[(4-phenylphenyl)methyl]-3-(2-pyridinyl)-1,2,4-triazin-5-amineN-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amineC27H21N5ML228 probe
Weitere Namen anzeigen
L-228CID-46742353CID-46742353ML228, 10 mM in DMSON-([1,1'Biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amineN-([1,1-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine1,2,4-Triazin-5-amine, N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-
MLS003431857orb1685433SCHEMBL19911080SCHEMBL29546979CHEBI:92777GLXC-02725EX-A7275LSM-2978
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 536
Physikochemische Eigenschaften
- Siedepunkt
- 686 · 686.0±65.0 °C(Predicted)
- Dichte
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, Inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 2.03 · 2.03±0.63(Predicted)
- Farbe
- Pale Yellow to Light Yellow
Chemie und Industrie
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