ChemicalBook--->CAS DataBase List--->1330782-76-7

1330782-76-7

1330782-76-7 Structure

1330782-76-7 Structure
IdentificationBack Directory
[Name]

TAK-931
[CAS]

1330782-76-7
[Synonyms]

TAK-931
SIMUROSERTIB
Simurosertib (TAK-931)
(S)-6-(3-methyl-1H-pyrazol-4-yl)-2-(quinuclidin-2-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(2S)-1-azabicyclo[2.2.2]oct-2-yl-6-(3-methyl-1H-pyrazol-4-yl)-
2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1~{H}-pyrazol-4-yl)-3~{H}-thieno[3,2-d]pyrimidin-4-one
[Molecular Formula]

C17H19N5OS
[MDL Number]

MFCD30802281
[MOL File]

1330782-76-7.mol
[Molecular Weight]

341.43
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: soluble
[form ]

A solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

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[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].

[IC 50]

Cdc7: <0.3 nM (IC50)
[storage]

Store at -20°C
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

TAK-931(1330782-76-7)1HNMR
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