THZ531

THZ531 is an inhibitor of cyclin-dependent kinase 12 (Cdk12) and Cdk13 (IC50s = 158 and 69 nM for Cdk12/cyclin K and Cdk13/cyclin K, respectively). It is selective for Cdk12/cyclin K and Cdk13/cyclin K over Cdk9/cyclin T1 and Cdk7/cyclin H/MAT1 (IC50s = 10.5 and 8.5 µM, respectively). THZ531 inhibits proliferation of Jurkat cells with an IC50 value of 50 nM and induces apoptosis in a concentration-dependent manner. It also reduces expression of genes associated with the DNA damage response, including BRCA1, FANCF, and ERCC4, in Jurkat cells when used at a concentration of 50 nM.Formal Name: (2E)-N-[4-[[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinyl]carbonyl]phenyl]-4-(dimethylamino)-2-butenamide. CAS Number: 1702809-17-3. Molecular Formula: C30H32ClN7O2. Formula Weight: 558.1. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 20 mg/ml, Ethanol: 25 mg/ml. lambdamax: 214, 251, 352 nm. SMILES: ClC1=CN=C(N[C@@H]2CCCN(C(C3=CC=C(NC(/C=C/CN(C)C)=O)C=C3)=O)C2)N=C1C4=CNC5=C4C=CC=C5. InChi Code: InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1. InChi Key: RUBYHLPRZRMTJO-MOVYNIQHSA-N.