3-(5-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-2,6-dione Chemical Properties

Boiling point:

533.3±50.0 °C(Predicted)

Density 

1.670±0.06 g/cm3(Predicted)

storage temp. 

Storage temp. 2-8°C

pka

11.11±0.40(Predicted)

form 

Solid

color 

Off-white to light brown

InChI

InChI=1S/C13H12BrN3O3/c1-16-10-6-7(14)2-3-8(10)17(13(16)20)9-4-5-11(18)15-12(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18,19)

InChIKey

JTRNEHBIODAOTJ-UHFFFAOYSA-N

SMILES

N1C(=O)CCC(N2C(=O)N(C)C3=CC(Br)=CC=C32)C1=O

3-(5-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-2,6-dione Usage And Synthesis

Uses

E3 ligase Ligand 32 (First product in Example 52) is a ligand for E3 ubiquitin ligase. E3 ligase Ligand 32 can be connected to the ligand for protein by a linker to form PROTACs and can be used for the synthesis of PROTAC SMARCA2/4-degrader-29 (HY-162743)[1].

IC 50

VHL

References

[1] Nan Ji, et al. Smarca degraders and uses thereof. Worldwide applications 2020 US WO