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ChemicalBook--->CAS DataBase List--->835616-61-0

835616-61-0

835616-61-0 Structure

835616-61-0 Structure
IdentificationBack Directory
[Name]

1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-fluoro-
[CAS]

835616-61-0
[Synonyms]

135588
Thalidomide 5-fluoride
Light purple to off white powder
2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindoline-1,3-dione
? 2-(2,6-Dioxopiperidin-3-yl)-5- difluoroisoindoline-1,3-dione
2-(2,6-Dioxo-3-piperidinyl)-5-fluoro-1H-isoindole-1,3(2H)-dione
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-fluoro-
[Molecular Formula]

C13H9FN2O4
[MDL Number]

MFCD30188075
[MOL File]

835616-61-0.mol
[Molecular Weight]

276.22
Chemical PropertiesBack Directory
[Boiling point ]

521.5±45.0 °C(Predicted)
[density ]

1.570±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO: 83.33 mg/mL (301.68 mM)
[form ]

Solid
[pka]

10.65±0.40(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C13H9FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)
[InChIKey]

MPQLCQKBYRSPNA-UHFFFAOYSA-N
[SMILES]

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


GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H361
[Precautionary statements ]

P201-P202-P264-P270-P281-P308+P313-P310-P330-P405-P501
Hazard InformationBack Directory
[Description]

2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindoline-1,3-dione is a thalidomide analog that can be useful in PROTAC research.
[Uses]

Thalidomide 5'- fluoro (2-(2,6-Dioxopiperidin-3-yl)-5-fluoroisoindoline-1,3-dione) is a derivative of Thalidomide, commonly used as a precursor to PROTAC® Degraders that hijacks cereblon as the E3 ubiquitin ligase component. Supplied with a fluoro functional handle at a position known not to significantly affect binding to cereblon, ready for conjugation to a linker/target protein ligand.
[storage]

Store at +4°C
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