TAK-931 free base · Synonyms: Simurosertib

Simurosertib is an orally active, selective and ATP-competitive cell division cycle 7 kinase inhibitor.

For research use only. Not for human or veterinary use.

Target CDK

Research area Cancer

Purity >98% Stock Inquire

Data Sheet SDS COA

TAK-931 structure

CAS No.: 1330782-76-7

Download structure (.mol)

Pack sizes & pricing

Size	Price	SKU	Stock
No pack sizes listed. Request a quote.

Description

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.

Biological activity

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. 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.

Identifiers

SMILES: CC1=NNC=C1C1=CC2=C(S1)C(=O)N=C(N2)[C@@H]1CC2CCN1CC2
InChIKey: XGVXKJKTISMIOW-ZDUSSCGKSA-N

Specifications

MW (average): 341.4310
Formula: C₁₇H₁₉N₅OS
CAS No.: 1330782-76-7
Physical state: Solid
Color: white to off-white
Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage: Powder 4℃ 2 years; In solvent -20℃ 1 month;

Solubility

Soluble in DMSO

In vitro: DMSO : 70 mg/mL

Documents

References

[1]. K Iwai, et al. A novel CDC7-selective inhibitor TAK-931 with potent antitumor activity. European Journal of Cancer , 2016 , 69 (1) :S34.

Same target

Search CDK

Same research area

Search Cancer