XYD049

Product Specifications

CAS Number

3006788-11-7

Smiles

CC1=NOC2=CC (OCC (NCCCCCNC3=CC=CC (C (N4C5CCC (NC5=O) =O) =O) =C3C4=O) =O) =C (C=C21) NS (C6=C (C=CC (Br) =C6) OC) (=O) =O

Molecular Formula

C35H35BrN6O10S

Additionnal Information

XYD049 (compound 7d) is a CRBN-based molecular glue targeting GSPT1 (DC50=19 nM), applicable for studying MYC-driven castration-resistant prostate cancer (CRPC) . It demonstrates potent growth inhibition of 22Rv1 cells (IC50=7 nM) and exhibits in vivo antitumor activity. XYD049 downregulates CRPC-associated oncogenes (AR, AR-v7, PSA, c-Myc) in 22Rv1 cells. Structurally, it consists of: 1) a molecular glue linker (NH2-C5-NH-Boc), 2) a CRBN-recruiting E3 ligase ligand (Thalidomide 4-fluoride), and 3) a GSPT1-targeting moiety (GSPT1 ligand-1) . The E3 ligase ligand-linker combination forms conjugate 158.