SML1239

XL388

≥98% (HPLC)

• Sinónimos: XL-388, [7-(6-Amino-3-pyridinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)phenyl]-methanone
• Fórmula empírica (notación de Hill): C₂₃H₂₂FN₃O₄S
• Número de CAS: 1251156-08-7
• Peso molecular: 455.50
• UNSPSC Code: 12352200
• NACRES: NA.77

Propiedades

• Quality Level: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 5 mg/mL, clear (warmed)
• storage temp.: −20°C
• SMILES string: Fc1c(ccc(c1C)C(=O)N2CCOc3c(cc(cc3)c4c[nH][c](cc4)=N)C2)[S](=O)(=O)C
• InChI: 1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
• InChI key: LNFBAYSBVQBKFR-UHFFFAOYSA-N

Descripción

Biochem/physiol Actions

XL388 is a potent, selective, orally bioavailable ATP-competitive inhibitor of mammalian target of rapamycin (mTOR) with an IC₅₀ of 9.9 nM for mTOR, 8 nM for mTORC1, 166 nM for mTORC2, and 1000-fold selectivity for mTOR over the closely related PI3K kinases and a panel of 141 protein kinases tested. XL388 blocked mTORC1 phosphorylation of p70S6K (T389) with an IC₅₀ value of 94 nM and blocked mTORC2 phosphorylationof AKT (S473) with an IC₅₀ value of 350 nM. XL388 showed complete tumor growth inhibition in mice bearing MCF-7 xenograft tumors.

Información de seguridad

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable