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Simurosertib

Name: Simurosertib
Brand: TargetMol
SKU: T12642L
Price: 59 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T12642LCas No. 1330782-76-7

Alias TAK-931

Simurosertib (TAK-931) is a selective and ATP-competitive cell division cycle 7 kinase inhibitor (IC50: <0.3 nM).

Simurosertib

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Purity: 99.93%

Catalog No. T12642LAlias TAK-931Cas No. 1330782-76-7

Simurosertib (TAK-931) is a selective and ATP-competitive cell division cycle 7 kinase inhibitor (IC50: <0.3 nM).

Pack Size	Price	USA Warehouse	Global Warehouse
1 mg	$59	In Stock	In Stock
5 mg	$162	In Stock	In Stock
10 mg	$226	In Stock	In Stock
25 mg	$420	In Stock	In Stock
50 mg	$593	In Stock	In Stock
100 mg	$819	In Stock	In Stock
1 mL x 10 mM (in DMSO)	$168	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Batch Information

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Purity:99.93%

Appearance:Solid

Color:White to Yellow

Resource Download

COA HNMR HPLC

Product Introduction

Bioactivity

Description	Simurosertib (TAK-931) is a selective and ATP-competitive cell division cycle 7 kinase inhibitor (IC50: <0.3 nM).
Targets&IC50	CDC7:<0.3 nM
In vitro	Simurosertib effectively inhibits CDC7 kinase activity (IC50 <0.3 nM) with time-dependent ATP-competitive kinetics to its ATP-binding pocket. Treatment with Simurosertib inhibits the cellular MCM2 phosphorylation at Ser40 in a dose-dependent manner, resulting in a delayed S phase progression, DNA-damage checkpoint activation, and caspase-3/7 activation. The selectivity studies using the 308 kinases reveals >120-fold selectivity of Simurosertib for CDC7 kinase inhibition compared to other kinase inhibitions [1].
In vivo	Simurosertib (p.o.) inhibits pMCM2 of the xenografted COLO205 in a dose- and time-dependent manner in the COLO205-xenograft mouse model. Simurosertib shows a significant antitumor activity in multiple xenograft models [1].
Synonyms	TAK-931

Chemical Properties

Molecular Weight	341.43
Formula	C₁₇H₁₉N₅OS
Cas No.	1330782-76-7
Smiles	Cc1n[nH]cc1-c1cc2[nH]c(nc(=O)c2s1)[C@@H]1CC2CCN1CC2
Relative Density.	no data available

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 47 mg/mL (137.66 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+40% PEG300+5% Tween 80+45% Saline: 2 mg/mL (5.86 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	2.9289 mL	14.6443 mL	29.2886 mL	146.4429 mL
5 mM	0.5858 mL	2.9289 mL	5.8577 mL	29.2886 mL
10 mM	0.2929 mL	1.4644 mL	2.9289 mL	14.6443 mL
20 mM	0.1464 mL	0.7322 mL	1.4644 mL	7.3221 mL
50 mM	0.0586 mL	0.2929 mL	0.5858 mL	2.9289 mL
100 mM	0.0293 mL	0.1464 mL	0.2929 mL	1.4644 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc