Simurosertib

SKU: orb1309184

Description

Simurosertib (TAK-931) is a potent, ATP-competitive inhibitor of CDC7 kinase with sub-nanomolar IC50. It is a research tool used in vitro and in vivo to study DNA replication, cell cycle progression, and has been investigated in preclinical cancer models.

Research Area

Cell Biology

Key Properties

• CAS Number: 1330782-76-7
• MW: 341.43
• Purity: 99.82% (May vary between batches)
• Formula: C₁₇H₁₉N₅OS
• SMILES: Cc1n[nH]cc1-c1cc2[nH]c(nc(=O)c2s1)[C@@H]1CC2CCN1CC2
• Target: CDK
• Solubility: DMSO:47 mg/mL (137.66 mM);10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.86 mM)

Bioactivity

• Target IC50:
  CDC7:<0.3 nM
• 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 .
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• 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 .
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

division, cycle, Cyclin dependent kinase, CDK, cell, Cdc7, anti-cancer, ATP-competitive, orally, Inhibitor, inhibit, Simurosertib, TAK931, TAK-931, TAK 931

Compound Identifiers

PubChem CID

135564531