BSJ-4-116

BSJ-4-116 is a proteolysis-targeting chimera (PROTAC) composed of a modified form of the multi-kinase degrader TL12-186 linked to the cereblon ligand and PROTAC synthetic intermediate E3 ligase ligand 2 (Cay-36664). It induces time- and concentration-dependent degradation of cyclin-dependent kinase 12 (Cdk12) in Jurkat T cells. BSJ-4-116 (50 nM) decreases expressions of various genes associated with DNA double-strand break repair in Jurkat cells. It inhibits the growth of MOLT-4 leukemia cells in a cereblon-dependent manner.Formal Name: N-[7-[(3R)-3-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-1-piperidinyl]heptyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]-acetamide. CAS Number: 2519823-34-6. Molecular Formula: C40H49ClN8O8S. Formula Weight: 837.4. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: Methanol: Soluble. SMILES: O=C1C2=C(OCC(NCCCCCCCN3C[C@@H](CCC3)NC4=NC=C(Cl)C(NC5=C(C=CC=C5)S(C(C)C)(=O)=O)=N4)=O)C=CC=C2C(N1C6C(NC(CC6)=O)=O)=O. InChi Code: InChI=1S/C40H49ClN8O8S/c1-25(2)58(55,56)32-16-7-6-14-29(32)45-36-28(41)22-43-40(47-36)44-26-12-11-21-48(23-26)20-9-5-3-4-8-19-42-34(51)24-57-31-15-10-13-27-35(31)39(54)49(38(27)53)30-17-18-33(50)46-37(30)52/h6-7,10,13-16,22,25-26,30H,3-5,8-9,11-12,17-21,23-24H2,1-2H3,(H,42,51)(H,46,50,52)(H2,43,44,45,47)/t26-,30?/m1/s1. InChi Key: YJOJMGTVKMABKQ-FIQOPJFZSA-N.