Simurosertib
Based on 13 publication(s) in Google Scholar
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.
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- Purity: 99.94%
- CAS No.: 1330782-76-7
- 화학식: C17H19N5OS
- 분자량:341.43
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 1 year , -20°C, 6 months
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Biological Activity
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Chemical Information
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용액&용해도
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- References
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Publications Citing Use of MedChemExpress (MCE) Simurosertib
More- Nat Commun. 2024 Oct 24;15(1):9181. [Abstract]
- Mol Cell. 2026 May 21;86(10):1931-1944.e9. [Abstract]
- Mol Cell. 2026 Feb 4:S1097-2765(26)00025-0. [Abstract]
- Mol Cell. 2021 Oct 7;81(19):4008-4025.e7. [Abstract]
- Nucleic Acids Res. 2020 Aug 20;48(14):7844-7855. [Abstract]
- Pharmacol Res. 2025 Dec:222:108027. [Abstract]
- J Allergy Clin Immunol. 2023 Jul;152(1):266-277. [Abstract]
- Cell Death Discov. 2022 Feb 26;8(1):85. [Abstract]
- Breast Cancer Res. 2019 Jul 1;21(1):77. [Abstract]
- Oncogenesis. 2026 Apr 24;15(1):27. [Abstract]
- Open Biol. 2021 Oct;11(10):210121. [Abstract]
- FEBS Open Bio. 2023 Sep;13(9):1737-1755. [Abstract]
- University of Washington. 2025.
Customer Validation & Images
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Cell Imaging/Staining
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Bio/Physico-chemical Assay
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Flow Cytometry
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WB
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Cell Proliferation/Viability Assay
Biological Activity
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Cdc7 <0.3 nM (IC50) |
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Cell Line
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Type | Value | Description | References |
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| COLO 205 | EC50 |
81 nM
Compound: 11b; TAK-931
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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
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[PMID: 31895562] |
| HeLa | IC50 |
17 nM
Compound: 11b; TAK-931
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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
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[PMID: 31895562] |
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.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 1330782-76-7
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Appearance Solid
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분자량 341.43
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화학식 C17H19N5OS
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Color White to off-white
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SMILES
O=C1C2=C(C=C(C3=CNN=C3C)S2)NC([C@H]4N(CC5)CCC5C4)=N1
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Synonyms
TAK-931
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 1 year -20°C 6 months
Publications (13)
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Journal Impact Factor
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Most Recent
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Nat Commun
2024 Oct 24;15(1):9181. PMID: 39448567 -
Mol Cell
MRE11 proximal polyadenylation site-mediated looping impacts transcription and genomic stability. [Abstract]2026 May 21;86(10):1931-1944.e9. PMID: 41997154 -
Mol Cell
Precise control of transcription condensates across S phase balances linker histone expression with DNA replication, ensuring genome stability. [Abstract]2026 Feb 4:S1097-2765(26)00025-0. PMID: 41643682
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.
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Mol Cell
REV1-Polζ maintains the viability of homologous recombination-deficient cancer cells through mutagenic repair of PRIMPOL-dependent ssDNA gaps. [Abstract]2021 Oct 7;81(19):4008-4025.e7. PMID: 34508659
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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Nucleic Acids Res
A kinase-independent function for AURORA-A in replisome assembly during DNA replication initiation. [Abstract]2020 Aug 20;48(14):7844-7855. PMID: 32652013 -
Pharmacol Res
CDC7 stabilized by KRAS signaling reactivation impairs chemosensitivity in KRAS-mutant colorectal cancer. [Abstract]2025 Dec:222:108027. PMID: 41207349 -
J Allergy Clin Immunol
2023 Jul;152(1):266-277. PMID: 36841265
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).
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Cell Death Discov
CDC7 kinase (DDK) inhibition disrupts DNA replication leading to mitotic catastrophe in Ewing sarcoma. [Abstract]2022 Feb 26;8(1):85. PMID: 35220396 -
Breast Cancer Res
A kinase inhibitor screen identifies a dual cdc7/CDK9 inhibitor to sensitise triple-negative breast cancer to EGFR-targeted therapy. [Abstract]2019 Jul 1;21(1):77. PMID: 31262335 -
Oncogenesis
2026 Apr 24;15(1):27. PMID: 42031714 -
Open Biol
The role of DDK and Treslin-MTBP in coordinating replication licensing and pre-initiation complex formation. [Abstract]2021 Oct;11(10):210121. PMID: 34699733 -
FEBS Open Bio
Minichromosome maintenance proteins in lung adenocarcinoma: clinical significance and therapeutic targets. [Abstract]2023 Sep;13(9):1737-1755. PMID: 37517032 -
용액&용해도
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)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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.
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.
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.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
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).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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.
순도&문서
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Data Sheet (274 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
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.
| 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
HY-100888 Related Classifications
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