Home Cell Cycle CDK inhibitor Simurosertib

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Simurosertib CDK inhibitor

Cat.No.S8925

Simurosertib (TAK-931), an oral cell division cycle 7 (CDC7)-selective inhibitor with an IC50<0.3 nM, induces S phase delay and replication stress and causes mitotic aberrations through centrosome dysregulation and chromosome missegregation, resulting in irreversible antiproliferative effects in cancer cells.
Simurosertib CDK inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 341.43

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Quality Control

Batch: S892501 DMSO]68 mg/mL]false]Ethanol]4 mg/mL]false]Water]Insoluble]false Purity: 99.79%
99.79

Chemical Information, Storage & Stability

Molecular Weight 341.43 Formula

C17H19N5OS

 Storage (From the date of receipt) 3 years -20°C powder
CAS No. 1330782-76-7 -- Storage of Stock Solutions

Synonyms TAK-931 Smiles CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5

Solubility

In vitro
Batch:

DMSO : 68 mg/mL ( (199.16 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Ethanol : 4 mg/mL

Water : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
Batch:

In vivo Formulation Calculator (Clear solution)

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Mechanism of Action

Targets/IC50/Ki
Cdc7 [1]
(in CDC7 enzyme assay)
0.3 nM
In vitro

Simurosertib (TAK-931) induces S phase delay and Replication stress (RS). This compound-induced RS causes mitotic aberrations through centrosome dysregulation and chromosome missegregation, resulting in irreversible antiproliferative effects in cancer cells.[1]
In vivo

Simurosertib (TAK-931) has marked, dose-dependent antitumor activity, without severe body weight loss in the pancreatic cancer cell (COLO205 and SW948) xenograft models.[1]
References

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT03708211 Completed
Neoplasms Advanced Solid
Millennium Pharmaceuticals Inc.|Takeda
 March 28 2019 Phase 1
NCT03261947 Completed
Metastatic Pancreatic Cancer|Colorectal Cancer|Esophageal Neoplasms|Carcinoma Non-small-cell Lung
Millennium Pharmaceuticals Inc.|Takeda
 October 25 2017 Phase 2
NCT02699749 Completed
Nonhematologic Neoplasms Advanced
Millennium Pharmaceuticals Inc.|Takeda
 March 24 2016 Phase 1

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