Simurosertib (Synonyms: TAK-931)

Name: Simurosertib
Brand: MedChemExpress
SKU: HY-100888
Rating: 5.0 (11 reviews)

Cat. No.: HY-100888 Purity: 99.94%: Data Sheet
COA

SDS
Handling Instructions
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Technical Support

Simurosertib (TAK-931) is an orally active, selective and ATP-competitive cell division cycle 7 (CDC7) kinase inhibitor, with an IC₅₀ of <0.3 nM. Simurosertib has anti-cancer activity.

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

CAS No. : 1330782-76-7

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
2 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 11 publication(s) in Google Scholar

Other Forms of Simurosertib:

(R)-Simurosertib In-stock
Simurosertib (Standard) Get quote

11 Publications Citing Use of MCE Simurosertib

Cell Imaging/Staining

Flow Cytometry

Bio/Physico-chemical Assay

Cell Proliferation/Viability Assay

: Simurosertib purchased from MedChemExpress. Usage Cited in: Mol Cell. 2026 Feb 4:S1097-2765(26)00025-0. [Abstract]; Representative images of MED1, NPAT and EdU in MCF10A cells treated with Simurosertib (TAK-931) (5 μM; 1 h).

: Simurosertib purchased from MedChemExpress. Usage Cited in: Mol Cell. 2026 Feb 4:S1097-2765(26)00025-0. [Abstract]; Simurosertib (TAK-931) (5 μM; 1 h). Line plots showing the percent of MCF10A cells with large MED1 foci for each cell cycle phase.

: Simurosertib purchased from MedChemExpress. Usage Cited in: J Allergy Clin Immunol. 2023 Jul;152(1):266-277. [Abstract]; Single cell cycle progression assay of serum-starved fibroblasts released into the cell cycle in the presence of nocodazole with or without Simurosertib (TAK-931) (2.5 nM).

: Simurosertib purchased from MedChemExpress. Usage Cited in: Mol Cell. 2021 Oct 7;81(19):4008-4025.e7. [Abstract]; pMCM2 (S40) levels in HCC1937 cells following treatment with the indicated doses of Simurosertib (TAK-931) (1-100 nM), as detected by western blot.

: Simurosertib purchased from MedChemExpress. Usage Cited in: Mol Cell. 2021 Oct 7;81(19):4008-4025.e7. [Abstract]; Simurosertib (TAK-931) (10 nM) restored the sensitivity of PRIMPOL-deficient HCC1937 cells to JH-RE-06.

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Simurosertib (TAK-931) is an orally active, selective and ATP-competitive cell division cycle 7 (CDC7) kinase inhibitor, with an IC₅₀ of <0.3 nM. Simurosertib has anti-cancer activity^[1].

IC₅₀ & Target^[1]

Cdc7

<0.3 nM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
COLO 205	EC₅₀	81 nM Compound: 11b; TAK-931	Antiproliferative activity against human COLO205 cells assessed as reduction in cell growth after 3 days by CellTiter-Glo luminescence assay Antiproliferative activity against human COLO205 cells assessed as reduction in cell growth after 3 days by CellTiter-Glo luminescence assay	[PMID: 31895562]
HeLa	IC₅₀	17 nM Compound: 11b; TAK-931	Inhibition of CDC7 in human HeLa cells assessed as inhibition of MCM2 phosphorylation at Ser40 residue in human HeLa cells after 7 hrs by Western blot analysis Inhibition of CDC7 in human HeLa cells assessed as inhibition of MCM2 phosphorylation at Ser40 residue in human HeLa cells after 7 hrs by Western blot analysis	[PMID: 31895562]

In Vitro

Simurosertib (TAK-931) potently inhibits CDC7 kinase activity (IC₅₀ <0.3 nM) with a time-dependent ATP-competitive kinetics to its ATP-binding pocket. The selectivity studies using the 308 kinases reveals >120-fold selectivity of Simurosertib (TAK-931) for CDC7 kinase inhibition compared to other kinase inhibitions. Treatment with Simurosertib (TAK-931) suppresses the cellular MCM2 phosphorylation at Ser40 (pMCM2) in a dose-dependent manner, resulting in a delayed S phase progression, DNA-damage checkpoint activation, and caspase-3/7 activation^[1].

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

In Vivo

In the COLO205-xenograft mouse model, oral administration of Simurosertib (TAK-931) inhibits pMCM2 of the xenografted COLO205 in dose- and time-dependent manners. Furthermore, Simurosertib (TAK-931) exhibits a significant antitumor activity in multiple xenograft models^[1].

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

Clinical Trial

Molecular Weight

341.43

Formula

C₁₇H₁₉N₅OS

CAS No.

1330782-76-7

Appearance

Solid

Color

White to off-white

SMILES

O=C1C2=C(C=C(C3=CNN=C3C)S2)NC([C@H]4N(CC5)CCC5C4)=N1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	1 year
	-20°C	6 months

Solvent & Solubility

In Vitro:

DMSO : 70 mg/mL (205.02 mM; ultrasonic and warming and heat to 60°C; 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	2.9289 mL	14.6443 mL	29.2886 mL
5 mM	0.5858 mL	2.9289 mL	5.8577 mL
10 mM	0.2929 mL	1.4644 mL	2.9289 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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

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: ≥ 2.5 mg/mL (7.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (7.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (7.32 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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: 99.94%

Select Batch:

Data Sheet (274 KB) SDS (251 KB)

COA (248 KB) HNMR (245 KB) RP-HPLC (137 KB) LCMS (233 KB)

Handling Instructions (2659 KB)

References

[1]. K Iwai, et al. A novel CDC7-selective inhibitor TAK-931 with potent antitumor activity. European Journal of Cancer , 2016 , 69 (1) :S34.

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.9289 mL	14.6443 mL	29.2886 mL	73.2215 mL
	5 mM	0.5858 mL	2.9289 mL	5.8577 mL	14.6443 mL
	10 mM	0.2929 mL	1.4644 mL	2.9289 mL	7.3221 mL
	15 mM	0.1953 mL	0.9763 mL	1.9526 mL	4.8814 mL
	20 mM	0.1464 mL	0.7322 mL	1.4644 mL	3.6611 mL
	25 mM	0.1172 mL	0.5858 mL	1.1715 mL	2.9289 mL
	30 mM	0.0976 mL	0.4881 mL	0.9763 mL	2.4407 mL
	40 mM	0.0732 mL	0.3661 mL	0.7322 mL	1.8305 mL
	50 mM	0.0586 mL	0.2929 mL	0.5858 mL	1.4644 mL
	60 mM	0.0488 mL	0.2441 mL	0.4881 mL	1.2204 mL
	80 mM	0.0366 mL	0.1831 mL	0.3661 mL	0.9153 mL
	100 mM	0.0293 mL	0.1464 mL	0.2929 mL	0.7322 mL

Simurosertib 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:

Simurosertib1330782-76-7TAK-931TAK931TAK 931CDKCyclin dependent kinaseorallyATP-competitivecelldivisioncycle7anti-cancerInhibitorinhibitorinhibit

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Simurosertib (Synonyms: TAK-931)

Customer Review

Other Forms of Simurosertib:

Simurosertib Related Antibodies

11 Publications Citing Use of MCE Simurosertib

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All CDK Isoform Specific Products:

Biological Activity

Purity & Documentation

References

Customer Review

Simurosertib Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

Simurosertib Related Classifications

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