| Identification | Back 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 Properties | Back Directory | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: soluble | [form ]
A solid | [color ]
White to off-white | [InChI]
InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1 | [InChIKey]
XGVXKJKTISMIOW-ZDUSSCGKSA-N | [SMILES]
C1([C@@H]2CC3CCN2CC3)NC(=O)C2SC(C3=CNN=C3C)=CC=2N=1 |
| Hazard Information | Back 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. |
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