CAS 212779-48-1|NG 52

Introduction:Basic information about CAS 212779-48-1|NG 52, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameNG 52
CAS Number212779-48-1Molecular Weight346.815
Density1.4±0.1 g/cm3Boiling Point587.7±60.0 °C at 760 mmHg
Molecular FormulaC16H19ClN6OMelting Point/
MSDS/Flash Point309.2±32.9 °C

Names

Name2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
SynonymMore Synonyms

NG 52 BiologicalActivity

DescriptionNG 52 (Compound 52 ) is a potent, cell-permeable, reversible, selective, and ATP-compatible inhibitor of the cell cycle-regulating kinase, Cdc28p (IC50 = 7 μM), and the related Pho85p kinase (IC50 = 2 μM).IC50 value: 7 uM [1]Target: Cdc28pCompound 52 inhibited growth in a drug-sensitized yeast strainwith a GI 50 of 30 uM. In contrast, the closely related compound 52Me proved to be a significantly weaker inhibitor of yeast growth (GI50=200 uM).
Related CatalogResearch Areas >>Cancer
Target

cdc2-cyclin B:0.34 μM (IC50)

Pho85p:2 nM (IC50)

References

[1]. ray NS, Wodicka L, Thunnissen AM et al. Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science. 1998 Jul 24;281(5376):533-8.

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point587.7±60.0 °C at 760 mmHg
Molecular FormulaC16H19ClN6O
Molecular Weight346.815
Flash Point309.2±32.9 °C
Exact Mass346.130890
PSA91.12000
LogP1.54
Appearance of Characterswhite solid
Vapour Pressure0.0±1.7 mmHg at 25°C
Index of Refraction1.688
InChIKeyXZEFMZCNXDQXOZ-UHFFFAOYSA-N
SMILESCC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21
Storage condition-20℃

Synonyms

Ethanol, 2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-
2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine NG-52
OLP
2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
compound 52
2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
3bpr
2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethanol
NG-52
NG 52
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