| Identification | Back Directory | [Name]
Acetamide, 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]- | [CAS]
2519823-34-6 | [Synonyms]
BSJ-4-116
Acetamide, 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]- | [Molecular Formula]
C40H49ClN8O8S | [MDL Number]
MFCD34186973 | [MOL File]
2519823-34-6.mol | [Molecular Weight]
837.38 |
| Chemical Properties | Back Directory | [density ]
1.368±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 250 mg/mL (298.55 mM; Need ultrasonic) | [form ]
Solid | [pka]
10.68±0.40(Predicted) | [color ]
White to off-white | [InChIKey]
YJOJMGTVKMABKQ-FIQOPJFZSA-N | [SMILES]
C(NCCCCCCCN1CCC[C@@H](NC2=NC=C(Cl)C(NC3=CC=CC=C3S(C(C)C)(=O)=O)=N2)C1)(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O |
| Hazard Information | Back Directory | [Uses]
BSJ-4-116 is a PROTAC connected by ligands for Cereblon and CDK. BSJ-4-116 is a highly potent and selective CDK12 degrader (PROTAC) with an IC50 of 6 nM. BSJ-4-116 downregulates DDR genes through a premature termination of transcription, primarily through increasing poly(adenylation). BSJ-4-116 exhibits potent antiproliferative effects, alone and in combination with the poly(ADP-ribose) polymerase inhibitor Olaparib (HY-10162)[1]. | [Biological Activity]
BSJ-4-116 is a highly potent and selective CDK12 degrader (PROTAC) with an IC50 of 6 nM. BSJ-4-116 downregulates DDR genes through a premature termination of transcription, primarily through increasing poly(adenylation). BSJ-4-116 exhibits potent antiproliferative effects, alone and in combination with the poly(ADP-ribose) polymerase inhibitor Olaparib [1].
BSJ-4-116 (10-10000 nM; 72 hours) exhibits potent antiproliferative effects in Kelly CDK12C1039F[1].BSJ-4-116 (50 nM; 6-24 hours) decreases the level of CDK12 protein, regardless of the mutational status of the cell line[1].BSJ-4-116 inhibits the growth of T-ALL cells (Jurkat and MOLT-4 cells) and sensitizes them to PARP inhibition[1]. BSJ-4-116 regulates DDR genes via poly(adenylation). BSJ-4-116 overcomes CDK12C1039F mutation. BSJ-4-116 represents the first example of resistance to a bivalent degrader molecule that is a consequence of an acquired point mutation in the target protein[1]. | [IC 50]
CDK12: 6 nM (IC50); Cereblon | [storage]
Store at -20°C | [References]
[1]. Jiang B, et al. Discovery and resistance mechanism of a selective CDK12 degrader. Nat Chem Biol. 2021;17(6):675-683. |
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