THZ1 dihydrochloride

• CAT Number: I047677
• CAS Number: 2422107-17-1
• Molecular Formula: C31H28ClN7O2.2HCl
• Molecular Weight: 566.05
• Purity: ≥95%
• IUPAC Name: N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
• InChI: 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+
• SMILES: CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl

THZ1 dihydrochloride is a first covalent inhibitor of CDK7 (IC50 value of 3.2 nM) which employs a unique mechanism, combining ATP-site and allosteric covalent binding, as means of attaining potency and selectivity for CDK7. The free base is also available as THZ1 (Axon 3560).
KEYWORDS: THZ1 dihydrochloride | Supplier | CDK7 inhibitor | THZ-1 dihydrochloride | THZ 1 dihydrochloride | CAS [1604810-83-4] | [2422107-17-1] | Cyclin Dependent (CDK) | CDK | Inhibitor | Enzymes | T-cell acute lymphoblastic leukaemia | T-ALL | RUNX1

Reference

N Kwiatkowski et al. Targeting transcription regulation in cancer with a covalent CDK7 inhibitor. Nature. 2014 Jul 31;511(7511):616-20.

M Wong et al. JMJD6 is a tumorigenic factor and therapeutic target in neuroblastoma. Nat Commun. 2019 Jul 25;10(1):3319.