THZ531

Name: THZ531
Brand: MedChemExpress
SKU: HY-103618
Rating: 5.0 (38 reviews)

Cat. No.: HY-103618 Purity: 99.23%: Data Sheet
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THZ531 is a selective and covalent inhibitor of both CDK12 and CDK13 with IC₅₀s of 158 nM and 69 nM, respectively.

For research use only. We do not sell to patients.

CAS No. : 1702809-17-3

Size	Stock	Quantity
1 mg	In-stock	Estimated Time of Arrival: December 31
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
25 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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Customer Review

Based on 38 publication(s) in Google Scholar

Other Forms of THZ531:

THZ531 (Standard) Get quote

38 Publications Citing Use of MCE THZ531

Bio/Physico-chemical Assay

Cell Proliferation/Viability Assay

RT-PCR

: THZ531 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 May 19;16(1):4656. [Abstract]; Cell viability assay of primary human NUP98-rearranged AML cells, healthy donor BM MNC and CD34+ progenitors treated with indicated concentrations of THZ531 (0.1 nM-10 μM) for 3 days.

: THZ531 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 May 19;16(1):4656. [Abstract]; GI₅₀ values from cell viability assays of murine AML cells treated with THZ531 for 3 days.

: THZ531 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 May 19;16(1):4656. [Abstract]; RT-qPCR analysis of dTAG-NUP98::KDM5A cells treated with THZ531 (2 µM, 24 h) showing log2FC values.

: THZ531 purchased from MedChemExpress. Usage Cited in: Nat Commun. 2025 May 19;16(1):4656. [Abstract]; Representative images of γH2A.X immunofluorescence staining of dTAG-GFP-NUP98::KDM5A cells treated with THZ531 (2 µM, 24 h) (left) and quantification of γH2A.x signal (right). Midline represents the median, bounds of the box represent the inter-quartile range (Q1 to Q3), and whiskers represent minimum and maximum values.

: THZ531 purchased from MedChemExpress. Usage Cited in: Nature. 2020 Sep;585(7824):293-297. [Abstract]; Titration of CDK12-_Alexa488cycK (0-3.75 μM) to 50 nM _terbiumDDB1 in the presence of 5 μM THZ531, ATP or DMSO.

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

THZ531 is a selective and covalent inhibitor of both CDK12 and CDK13 with IC₅₀s of 158 nM and 69 nM, respectively^[1].

IC₅₀ & Target^[1]

CDK12

158 nM (IC₅₀)

CDK13

69 nM (IC₅₀)

CDK7

8.5 μM (IC₅₀)

CDK9

10.5 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
BT-474	GI₅₀	0.044 μM Compound: THZ531	Antiproliferative activity against trastuzumab-sensitive HER2-positive human BT-474 cells by Cell Titer Glo assay Antiproliferative activity against trastuzumab-sensitive HER2-positive human BT-474 cells by Cell Titer Glo assay	[PMID: 38061230]
Bel-7402	IC₅₀	650 nM Compound: THZ531	Antiproliferative activity against human Bel-7402 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay Antiproliferative activity against human Bel-7402 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay	[PMID: 36905918]
HCT-116	IC₅₀	89 nM Compound: THZ531	Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay Antiproliferative activity against human HCT-116 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay	[PMID: 36905918]
HeLa	IC₅₀	106 nM Compound: THZ531	Antiproliferative activity against human HeLa cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay Antiproliferative activity against human HeLa cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay	[PMID: 36905918]
JIMT-1	GI₅₀	1.84 μM Compound: THZ531	Antiproliferative activity against trastuzumab-resistant HER2-positive human JIMT-1 cells by Cell Titer Glo assay Antiproliferative activity against trastuzumab-resistant HER2-positive human JIMT-1 cells by Cell Titer Glo assay	[PMID: 38061230]
Kelly	IC₅₀	253.8 nM Compound: 10a; THZ531	Antiproliferative activity against human Kelly cells harboring CDK12 C1039F mutant assessed as reduction in cell viability incubated for 72 hrs by CellTiter-Glo assay Antiproliferative activity against human Kelly cells harboring CDK12 C1039F mutant assessed as reduction in cell viability incubated for 72 hrs by CellTiter-Glo assay	[PMID: 33945934]
Kelly	IC₅₀	93 nM Compound: 10a; THZ531	Antiproliferative activity against human Kelly cells harboring wild type CDK12 assessed as reduction in cell viability incubated for 72 hrs by CelTiter-Glo assay Antiproliferative activity against human Kelly cells harboring wild type CDK12 assessed as reduction in cell viability incubated for 72 hrs by CelTiter-Glo assay	[PMID: 33945934]
L02	IC₅₀	119 nM Compound: THZ531	Cytotoxicity against human L02 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay Cytotoxicity against human L02 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay	[PMID: 36905918]
MDA-MB-231	IC₅₀	133 nM Compound: THZ531	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth measured after 96 hrs by SRB assay	[PMID: 36905918]
MDA-MB-231	IC₅₀	17.9 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	[PMID: 37478560]
MDA-MB-231	IC₅₀	3.5 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-231	IC₅₀	44.2 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-231	IC₅₀	7.1 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 37478560]
MDA-MB-436	IC₅₀	14.3 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-436	IC₅₀	18.1 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	[PMID: 37478560]
MDA-MB-436	IC₅₀	4.6 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-436	IC₅₀	6.4 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-436 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 37478560]
MDA-MB-468	IC₅₀	14.4 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 48 hrs by MTT assay	[PMID: 37478560]
MDA-MB-468	IC₅₀	3.4 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-468	IC₅₀	47.7 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 24 hrs by MTT assay	[PMID: 37478560]
MDA-MB-468	IC₅₀	5.8 μM Compound: 13; THZ531	Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition of cell growth incubated for 72 hrs by MTT assay	[PMID: 37478560]

In Vitro

The results from Kinase assays demonstrate that THZ531 potently inhibits CDK12 and CDK13 with IC₅₀s of 158 nM and 69 nM, respectively; whereas inhibition of CDK7 and CDK9 is more than 50-fold weaker with IC₅₀s of 8.5 and 10.5 μM, respectively. THZ531 treatment leads to a dramatic and irreversible decrease in Jurkat cell proliferation with an IC₅₀ of 50 nM. FACS cell cycle analysis following treatment with escalating doses of THZ531 displays a dose and time-dependent increase in the number of cells exhibiting sub-G1 content. At 50 nM THZ531, no increase in the percentage of apoptotic cells is observed over DMSO control for the time course of the experiment. Higher doses of THZ531 leads to pronounced Annexin V signal with 30 to 40% annexin V-positively stained cells by 72 hrs. A dramatic reduction in elongating Pol II following THZ531 treatment is also observed^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

558.07

Formula

C₃₀H₃₂ClN₇O₂

CAS No.

1702809-17-3

Appearance

Solid

Color

White to light yellow

SMILES

ClC(C(C1=CNC2=CC=CC=C12)=N3)=CN=C3N[C@@H]4CCCN(C(C5=CC=C(NC(/C=C/CN(C)C)=O)C=C5)=O)C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (447.97 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.7919 mL	8.9594 mL	17.9189 mL
5 mM	0.3584 mL	1.7919 mL	3.5838 mL
10 mM	0.1792 mL	0.8959 mL	1.7919 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.43 mg/mL (2.56 mM); Clear solution

This protocol yields a clear solution of ≥ 1.43 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (14.3 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: 1.43 mg/mL (2.56 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 1.43 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (14.3 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 1.43 mg/mL (2.56 mM); Clear solution

This protocol yields a clear solution of ≥ 1.43 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (14.3 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.86%

Select Batch:

Data Sheet (273 KB) SDS (643 KB)

COA (245 KB) HNMR (229 KB) LCMS (410 KB)

Handling Instructions (2659 KB)

References

[1]. Zhang T, et al. Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors. Nat Chem Biol. 2016 Oct;12(10):876-84. [Content Brief]

Kinase Assay ^[1]	Cells are treated with THZ531 or DMSO for 6 hrs. Following treatment cells are washed 2-fold with cold PBS and then lysed in the following lysis buffer: 50 mM Hepes pH 7.4, 150 mM NaCl, 1% Nonidet P40 substitute, 5 mM EDTA, 1 mM DTT, and protease/phosphatase cocktails. Following clearance, lysates are treated with bio-THZ1 or bio-TH531 for pulldown overnight at 4°C. Lysates are further incubated at room temperature for 3 hrs to increase the efficiency of covalent bond formation. Lysates are then incubated with streptavidin agarose for pulldown for an additional 2 to 3 hrs at 4°C^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Cell Assay ^[1]	Jurkat cells are plated in 96-well plates at 20,000 cells/well in fresh media and treated with THZ531 or DMSO at the indicated concentrations for 72 hours. HAP1 cells are seeded in 96-well plates at 12,000 cells/well in fresh media and 24 hours later are treated with THZ531 at the indicated concentrations for 72 hours. Anti-proliferative effect of THZ531 is assessed. To assess the effect of inhibitor washout on anti-proliferation of Jurkat cells, cells are treated with THZ531 or DMSO for 6 hrs. Inhibitor-containing medium is then removed and incubated with or without THZ531 for 66 hrs. Anti-proliferative effect of THZ531 is assessed. All proliferation assays are performed in biological triplicate. IC₅₀s are determined using non-linear regression curve fit^[1]. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References	[1]. Zhang T, et al. Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors. Nat Chem Biol. 2016 Oct;12(10):876-84. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	1.7919 mL	8.9594 mL	17.9189 mL	44.7972 mL
	5 mM	0.3584 mL	1.7919 mL	3.5838 mL	8.9594 mL
	10 mM	0.1792 mL	0.8959 mL	1.7919 mL	4.4797 mL
	15 mM	0.1195 mL	0.5973 mL	1.1946 mL	2.9865 mL
	20 mM	0.0896 mL	0.4480 mL	0.8959 mL	2.2399 mL
	25 mM	0.0717 mL	0.3584 mL	0.7168 mL	1.7919 mL
	30 mM	0.0597 mL	0.2986 mL	0.5973 mL	1.4932 mL
	40 mM	0.0448 mL	0.2240 mL	0.4480 mL	1.1199 mL
	50 mM	0.0358 mL	0.1792 mL	0.3584 mL	0.8959 mL
	60 mM	0.0299 mL	0.1493 mL	0.2986 mL	0.7466 mL
	80 mM	0.0224 mL	0.1120 mL	0.2240 mL	0.5600 mL
	100 mM	0.0179 mL	0.0896 mL	0.1792 mL	0.4480 mL

THZ531 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

THZ5311702809-17-3THZ 531THZ-531CDKCyclin dependent kinaseInhibitorinhibitorinhibit

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THZ531

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THZ531 Related Antibodies

38 Publications Citing Use of MCE THZ531

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References

Customer Review

THZ531 Related Antibodies

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Complete Stock Solution Preparation Table

THZ531 Related Classifications

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