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191732-70-4

191732-70-4 Structure

191732-70-4 Structure
IdentificationBack Directory
[Name]

3-(5-Amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione
[CAS]

191732-70-4
[Synonyms]

C5 Lenalidomide
3-(5-Amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione
3-(5-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
2,6-Piperidinedione, 3-(5-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
[Molecular Formula]

C13H13N3O3
[MOL File]

191732-70-4.mol
[Molecular Weight]

259.26
Chemical PropertiesBack Directory
[Boiling point ]

634.5±55.0 °C(Predicted)
[density ]

1.460±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

10.83±0.40(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C13H13N3O3/c14-8-1-2-9-7(5-8)6-16(13(9)19)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
[InChIKey]

WLUIQUZGNPAKRL-UHFFFAOYSA-N
[SMILES]

N1C(=O)CCC(N2CC3=C(C2=O)C=CC(N)=C3)C1=O
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361d-H373
[Precautionary statements ]

P201-P308+P313
Hazard InformationBack Directory
[Description]

3-(5-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione is a lenalidomide analog that can be useful in PROTAC research.
[Uses]

C5 Lenalidomide (Lenalidomide 5'-amine) is a thalidomide analog and is a potent inhibitor of TNF-alpha production (IC50=100 μM in LPS stimulated human PBMC)[1].
[reaction suitability]

reagent type: ligand
[storage]

Store at -20°C
[References]

[1] G W Muller, et al. Amino-substituted thalidomide analogs: potent inhibitors of TNF-alpha production. Bioorg Med Chem Lett. 1999 Jun 7;9(11):1625-30. DOI:10.1016/s0960-894x(99)00250-4
Spectrum DetailBack Directory
[Spectrum Detail]

3-(5-Amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione(191732-70-4)1HNMR
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