1. Cell Cycle/DNA Damage
  2. CDK
  3. Simurosertib

Simurosertib (Synonyms: TAK-931)

Cat. No.: HY-100888 Purity: 99.07%
Handling Instructions

Simurosertib (TAK-931) is a selective cycle 7 (CDC7) kinase inhibitor, with an IC50<0.3 nM.

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

Simurosertib Chemical Structure

Simurosertib Chemical Structure

CAS No. : 1330782-76-7

Size Price Stock Quantity
10 mM * 1 mL in DMSO USD 244 In-stock
Estimated Time of Arrival: December 31
2 mg USD 130 In-stock
Estimated Time of Arrival: December 31
5 mg USD 230 In-stock
Estimated Time of Arrival: December 31
10 mg USD 320 In-stock
Estimated Time of Arrival: December 31
50 mg USD 950 In-stock
Estimated Time of Arrival: December 31
100 mg   Get quote  
200 mg   Get quote  

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Description

Simurosertib (TAK-931) is a selective cycle 7 (CDC7) kinase inhibitor, with an IC50<0.3 nM.

IC50 & Target[1]

Cdc7

0.3 nM (IC50)

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].

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].

Clinical Trial
Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 75 mg/mL (219.66 mM; Need ultrasonic)

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
*Please refer to the solubility information to select the appropriate solvent.
In Vivo:
  • 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

  • 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

  • 3.

    Add each solvent one by one:  10% DMSO    90% corn oil

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

*All of the co-solvents are provided by MCE.
References
Molecular Weight

341.43

Formula

C₁₇H₁₉N₅OS

CAS No.

1330782-76-7

SMILES

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

Shipping

Room temperature in continental US; may vary elsewhere

Purity: 99.07%

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Simurosertib
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Simurosertib

Cat. No.: HY-100888