| Identification | Back 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 Properties | Back 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 |
| Hazard Information | Back 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 |
|
|