ChemicalBook--->CAS DataBase List--->3050687-70-9

3050687-70-9

3050687-70-9 Structure

3050687-70-9 Structure
IdentificationBack Directory
[Name]

2,6-Piperidinedione, 3-(3-bromo-2-chlorophenyl)-
[CAS]

3050687-70-9
[Synonyms]

CRBN ligand-13
3-(3-Bromo-2-chlorophenyl)piperidine-2,6-dione
2,6-Piperidinedione, 3-(3-bromo-2-chlorophenyl)-
[Molecular Formula]

C11H9BrClNO2
[MOL File]

3050687-70-9.mol
[Molecular Weight]

302.55
Chemical PropertiesBack Directory
[Boiling point ]

445.1±45.0 °C(predicted)
[density ]

1.611±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Store at room temperature
[form ]

Powder
[pka]

10.97±0.40(predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C11H9BrClNO2/c12-8-3-1-2-6(10(8)13)7-4-5-9(15)14-11(7)16/h1-3,7H,4-5H2,(H,14,15,16)
[InChIKey]

ALZZHOGCXUFQPV-UHFFFAOYSA-N
[SMILES]

O=C1NC(CCC1C1C=CC=C(C=1Cl)Br)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

CRBN ligand-13 is a CRBN-type E3 ubiquitin ligase ligand that can be used to prepare PROTAC.
[IC 50]

Cereblon
[References]

[1] Mileti? N, et al. Workflow for E3 Ligase Ligand Validation for PROTAC Development. ACS Chem Biol. 2025 Feb 21;20(2):507-521. DOI:10.1021/acschembio.4c00812
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Piperidinedione, 3-(3-bromo-2-chlorophenyl)-(3050687-70-9)1HNMR
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