Table of Contents

THZ531 0.11 to 0.125 to 0.35μM on day4 then day6 R07 exp412

Mechanism of Action

Inhibits CDK12 and CDK13, forms covalent adduct, more selective analog of THZ1, blocks phosphorylation of the C-terminal domain of RNA polymerase II

Technical Notes

Protein References

  • PubChem 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
  • Synonyms: N/A
  • CAS #: 1702809-17-3
  • PubChem CID: 118025540
  • IUPAC: (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 Name: 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
  • Molecular Weight: 558.1
  • Canonical SMILES: CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
  • Isomeric 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
  • Molecular Formula: C30H32ClN7O2

Protein Supplier

  • Supplier Name: Med Chem Express
  • Catalog #: HY-103618
  • Lot #: 28264

Protein Characterization

  • HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C30H32ClN7O2 558.23788; found 558.23943

Dose Response Curve

  • Platform ID: THZ531
  • Min: -7.6335; Max: 95.3893





IC Concentration (µM)
IC10 N/A
IC20 0.0546
IC30 0.0716
IC40 0.0910
IC50 0.1150
IC60 N/A
IC70 N/A
IC80 N/A
IC90 N/A


Screen Summary

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
20/22ScoresViewViewViewViewView