ChemicalBook--->CAS DataBase List--->1496997-41-1

1496997-41-1

1496997-41-1 Structure

1496997-41-1 Structure
IdentificationBack Directory
[Name]

2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindoline-1,3-dione
[CAS]

1496997-41-1
[Synonyms]

Thalidomide-5,6-F
6-difluoroisoindoline-1
6-Dioxopiperidin-3-yl)-5
2-(2,6-Dioxo-3-piperidyl)-5,6-difluoroisoindoline-1,3-dione
2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindoline-1,3-dione
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5,6-difluoro-
[Molecular Formula]

C13H8F2N2O4
[MDL Number]

MFCD32853274
[MOL File]

1496997-41-1.mol
[Molecular Weight]

294.21
Chemical PropertiesBack Directory
[Boiling point ]

534.6±50.0 °C(Predicted)
[density ]

1.633±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

10.50±0.40(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C13H8F2N2O4/c14-7-3-5-6(4-8(7)15)13(21)17(12(5)20)9-1-2-10(18)16-11(9)19/h3-4,9H,1-2H2,(H,16,18,19)
[InChIKey]

AGHXYRKTAZEQQW-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=C(F)C(F)=C2)C(=O)N1C1CCC(=O)NC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

Thalidomide-5,6-F is used in the recruitment of the cereblon protein and also used as a PROTAC linker.
[Uses]

Thalidomide-5,6-F is the Thalidomide-based cereblon ligand used in the recruitment of CRBN protein. Thalidomide-5,6-F can be connected to the ligand for protein by a linker to form PROTACs[1].
[IC 50]

Cereblon
[References]

[1] Liu K, et al. Design and biological characterization of hybrid compounds of curcumin and thalidomide for multiple myeloma. Org Biomol Chem. 2013;11(29):4757-4763. DOI:10.1039/c3ob40595h
Spectrum DetailBack Directory
[Spectrum Detail]

2-(2,6-dioxopiperidin-3-yl)-5,6-difluoroisoindoline-1,3-dione(1496997-41-1)1HNMR
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