ChemicalBook--->CAS DataBase List--->1246535-95-4

1246535-95-4

1246535-95-4 Structure

1246535-95-4 Structure
IdentificationBack Directory
[Name]

5-(9-isopropyl-2-Morpholino-9H-purin-6-yl)pyriMidin-2-aMine
[CAS]

1246535-95-4
[Synonyms]

CB72666407
VS-5584 analog
Desmethyl-VS-5584
DESMETHYL VS 5584; DESMETHYL VS5584
5-(9-isopropyl-2-Morpholino-9H-purin-6-yl)pyriMidin-2-aMine
5-[2-(morpholin-4-yl)-9-(propan-2-yl)-9H-purin-6-yl]pyrimidin-2-amine
5-[9-(1-Methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine
2-Pyrimidinamine, 5-[9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-
[Molecular Formula]

C16H20N8O
[MDL Number]

MFCD27996045
[MOL File]

1246535-95-4.mol
[Molecular Weight]

340.38
Chemical PropertiesBack Directory
[Boiling point ]

669.3±65.0 °C(Predicted)
[density ]

1.52±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Chloroform: 0.5mg/mL
[form ]

A solid
[pka]

3.94±0.10(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

VS-5584 analog is a dual inhibitor of PI3Kα and mammalian target of rapamycin (mTOR; IC50s = 17 and 150 nM, respectively). It is a desmethyl analog of the dual PI3K/mTOR inhibitor VS-5584 .
[Uses]

An intermediate in the preparation of purine compounds as therapeutic kinase inhibitors.
[References]

[1] ANDERS POULSEN*. Structure and Ligand-Based Design of mTOR and PI3-Kinase Inhibitors Leading to the Clinical Candidates VS-5584 (SB2343) and SB2602[J]. Journal of Chemical Information and Modeling , 2014, 54 11: 3238-3250. DOI: 10.1021/ci500493m
Spectrum DetailBack Directory
[Spectrum Detail]

5-(9-isopropyl-2-Morpholino-9H-purin-6-yl)pyriMidin-2-aMine(1246535-95-4)1HNMR
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