SML3161

GSK2126458

≥98% (HPLC)

• Sinônimo(s): 2,4-Difluoro-N-{2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide, GSK 2126458, GSK 458, GSK-2126458, GSK-458, GSK2126458A, GSK458, Omipalisib
• Fórmula empírica (Notação de Hill): C₂₅H₁₇F₂N₅O₃S
• Número CAS: 1086062-66-9
• Peso molecular: 505.50
• Número MDL: MFCD16038929
• Código UNSPSC: 12352200
• NACRES: NA.77

Propriedades

• Nível de qualidade: 100
• Ensaio: ≥98% (HPLC)
• forma: powder
• cor: white to beige
• solubilidade: DMSO: 2 mg/mL, clear
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: FC(C=C1F)=CC=C1S(NC2=CC(C3=CC4=C(C5=CN=NC=C5)C=CN=C4C=C3)=CN=C2OC)(=O)=O
• InChI: 1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
• chave InChI: CGBJSGAELGCMKE-UHFFFAOYSA-N

Descrição

Ações bioquímicas/fisiológicas

GSK2126458 (GSK458) is an orally active, highly potent and selective ATP site inhibitor against phosphoinositide 3-kinase (PI3K p110α CI50 = 40 pM; p100 α/δ/γ/β Ki = 19/24/60/130 pM; p110α E542K/E545K/H1047R Ki = 8/8/9 pM), mTOR (mTORC1/C2 Ki = 180/300 pM) and DNA-PK (IC50 = 280 pM) with >10,000-fold selectivity over more than 240 other kinases evaluated. GSK458 inhibits cellular AKT pS473 and growth of breast cancer cells in cultures (pAKT/growth IC50 = 0.41/3 nM/T-47D and 0.18/2.4/BT-474) and in vivo (0.3-3 mg/kg, 5x per wk for 3 wks p.o. in mice).

Informações de segurança

• Pictogramas: GHS08,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H302,H361fd,H372
• Declarações de precaução: P202 - P260 - P264 - P270 - P301 + P312 - P308 + P313
• Classificações de perigo: Acute Tox. 4 Oral - Repr. 2 - STOT RE 1
• Código de classe de armazenamento: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): Not applicable
• Ponto de fulgor (°C): Not applicable