THZ1

THZ1 is a Cdk7 inhibitor (IC50s = 3.2-15.6 nM in vitro) that selectively targets a remote cysteine residue located outside of the classic kinase domain. THZ1 also targets Cdk12 kinase activity although at a higher concentration (IC50 = 250 nM). It displays broad anti-proliferative activity against cancer cell lines, particularly T-ALL cell lines that display characteristic misregulation of T cell lineage-specific transcription factors. THZ1 is reported to induce apoptotic cell death in triple-negative breast cancer cells that are highly dependent on Cdk7.Formal Name: N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-4-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-benzamide. CAS Number: 1604810-83-4. Molecular Formula: C31H28ClN7O2. Formula Weight: 566.1. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMF:PBS (pH 7.2) (1:2): 0.3 mg/ml, DMSO: 25 mg/ml. lambdamax: 214, 295 nm. SMILES: CN(C/C=C/C(NC1=CC=C(C(NC2=CC(NC3=NC=C(Cl)C(C4=CNC5=C4C=CC=C5)=N3)=CC=C2)=O)C=C1)=O)C. InChi Code: InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+. InChi Key: OBJNFLYHUXWUPF-IZZDOVSWSA-N.