SML2111

GSK8814

≥98% (HPLC)

• Sinônimo(s): 8-((3R,4R,5S)-3-((4,4-Difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-ylamino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, 8-[[(3R,4R,5S)-3-[(4,4-Difluorocyclohexyl)methoxy]-5-methoxy-4-piperidinyl]amino]-3-methyl-5-(5-methyl-3-pyridinyl)-1,7-naphthyridin-2(1H)-one
• Fórmula empírica (Notação de Hill): C₂₈H₃₅F₂N₅O₃
• Número CAS: 1997369-78-4
• Peso molecular: 527.61
• Código UNSPSC: 12352200

Propriedades

• Ensaio: ≥98% (HPLC)
• forma: powder
• cor: colorless to very dark brown
• solubilidade: DMSO: 2 mg/mL, clear
• temperatura de armazenamento: −20°C
• cadeia de caracteres SMILES: O=C(N1)C(C)=CC2=C1C(N[C@H]3[C@H](OCC4CCC(F)(F)CC4)CNC[C@@H]3OC)=NC=C2C5=CN=CC(C)=C5

Descrição

Ações bioquímicas/fisiológicas

GSK8814 is an aqueous soluble (>439 μM) inhibitor that targets ATAD2 & ATAD2B bromodomain (BD) with submicromolar affinity (pK_d = 8.1 for ATAD2 by ITC) and high selectivity (pIC₅₀ = 7.3/ATAD2 BD & 7.7/ATAD2B BD in competitive ligand binding assays by TR-FRET; pIC₅₀ ≤4.5 when using BD1/BD2 of BRD2-4 or BRDT). When tested using intact cells, GSK8814 effectively disrupts histone H3.3 interaction with ATAD2 BD construct (IC₅₀ = 2.7 μM), but not full-length ATAD2. GSK8814, but not its less active diastereomer GSK8815, is shown to suppress LNCaP colony formation in a soft agar assay, albeit with a high effective concentration (by 56% at 20 μM).

Informações de segurança

• Código de classe de armazenamento: 11 - Combustible Solids
• Classe de risco de água (WGK): WGK 3