For research use only. Not for therapeutic Use.
THZ531 (Cat No.:I009802) is a highly potent and selective inhibitor of CDK12 and CDK13, two members of the cyclin-dependent kinase (CDK) family. It acts by binding to the ATP-binding pocket of CDK12/13 and inhibiting their kinase activity. THZ531 has been shown to disrupt the phosphorylation of RNA polymerase II, leading to the downregulation of transcription and subsequent inhibition of cancer cell growth. It displays strong antitumor effects in preclinical models, particularly in cancers driven by transcriptional dependencies such as Ewing sarcoma and triple-negative breast cancer. THZ531 represents a promising therapeutic strategy for targeting transcriptional regulation in cancer cells and is undergoing further investigation for its clinical potential.
| Catalog Number | I009802 |
| CAS Number | 1702809-17-3 |
| Synonyms | THZ531; THZ-531; THZ 531.;(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide |
| Molecular Formula | C30H32ClN7O2 |
| Purity | ≥95% |
| Target | Cyclin-Dependent Kinases |
| Solubility | Soluble in DMSO |
| Storage | 0 - 4 °C for short term, or -20 °C for long term |
| Overview of Clinical Research | Originator: Syros Pharmaceuticals<br /> |
| IUPAC Name | (E)-N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide |
| InChI | 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 |
| InChIKey | RUBYHLPRZRMTJO-MOVYNIQHSA-N |
| SMILES | CN(C)C/C=C/C(=O)NC1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl |
| Reference | 1: Zhang T, Kwiatkowski N, Olson CM, Dixon-Clarke SE, Abraham BJ, Greifenberg AK, |
