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1330782-69-8

1330782-69-8 Structure

1330782-69-8 Structure
IdentificationBack Directory
[Name]

(R)-Simurosertib
[CAS]

1330782-69-8
[Synonyms]

(R)-TAK-931
TAK931 R-isomer
(R)-Simurosertib
(R) Simurosertib,(R)Simurosertib
6-(3-methyl-1H-pyrazol-4-yl)-2-[(2R)-quinuclidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(2R)-1-azabicyclo[2.2.2]oct-2-yl-6-(3-methyl-1H-pyrazol-4-yl)-
[Molecular Formula]

C17H19N5OS
[MDL Number]

MFCD32067867
[MOL File]

1330782-69-8.mol
[Molecular Weight]

341.43
Chemical PropertiesBack Directory
[Boiling point ]

598.3±60.0 °C(Predicted)
[density ]

1.67±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 75 mg/mL (219.66 mM)
[form ]

Solid
[pka]

13.85±0.50(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

(R)-Simurosertib ((R)-TAK-931) is the (R)-enantiomer of Simurosertib. 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 [1].
[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]

(R)-Simurosertib(1330782-69-8)1HNMR
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