CAS No. 1702809-17-3

Batch: Purity:99.77
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THZ531 Chemical Structure
Chemical Structure
Check the THZ531 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

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
CAS Number 1702809-17-3
Molecular Formula

C30H32ClN7O2
Molecular Weight (MW) 558.07
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
InChIKey RUBYHLPRZRMTJO-MOVYNIQHSA-N

Ordering Information

Biological Activity

THZ531 is a selective covalent inhibitor of CDK12 and CDK13. The compound covalently binds to a conserved cysteine residue outside the kinase domain. This dual inhibition disrupts RNA polymerase II C-terminal domain phosphorylation and downregulates the expression of DNA damage response genes, ultimately leading to transcription elongation defects and apoptosis in cancer cell lines.

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 100 mg/mL (179.18 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 4 mg/mL
Water Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.