THZ2

THZ2 is a Cdk7 inhibitor (IC50 = 13.9 nM) and a derivative of THZ1 (Cay-9002215). It is selective for Cdk7 over Cdk1, -2, -5, -8, and -9 (IC50s = 96.9, 222, 134, 6,830, and 194 nM, respectively). THZ2 (0.001-1 nM) reduces proliferation of BT-549, HCC70, and MDA-MB-468 triple-negative breast cancer (TNBC) cells. In vivo, THZ2 (10 mg/kg) reduces tumor volume in an MDA-MB-231 mouse xenograft model. It also reduces tumor weight and volume, as well as the number of lung metastases, in an SJSA-1 osteosarcoma orthotopic mouse xenograft model.Formal Name: N-[3-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]phenyl]-3-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-benzamide. CAS Number: 1604810-84-5. Molecular Formula: C31H28ClN7O2. Formula Weight: 566.1. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, DMSO:PBS (pH 7.2) (1:2): 0.3 mg/ml. lambdamax: 214, 278 nm. SMILES: CN(C)C/C=C/C(NC1=CC(C(NC2=CC(NC3=NC(C4=CNC5=CC=CC=C54)=C(Cl)C=N3)=CC=C2)=O)=CC=C1)=O. InChi Code: InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+. InChi Key: FONRCZUZCHXWBD-VGOFMYFVSA-N.