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XL388 is an orally bioavailable and ATP-competitive inhibitor of mammalian target of rapamycin (mTOR, IC50 = 9.9 nM). It is selective for mTOR over a panel of more than 140 kinases, including various PI3Ks (IC50s = >3,000 nM). It inhibits mTOR complex 1 (mTORC1) and mTORC2 in vitro (IC50s = 8 and 166 nM, respectively). XL388 induces cytotoxicity in MG-63, U2OS, and Saos-2 osteosarcoma and 786-0 kidney cancer cells and increases apoptosis in 786-0 and MG-63 cells in a concentration-dependent manner. It also induces cell cycle arrest at the G1 phase and increases autophagy in MG-63 cells. XL388 (50 and 100 mg/kg) reduces tumor growth in an MCF-7 breast cancer mouse xenograft model and inhibits phosphorylation of the mTORC1 and mTORC2 substrates p70S6K, S6, 4E-BP1, and Akt in MCF-7 and PC-3 xenograft tumors when administered at a dose of 100 mg/kg. XL388 (20 mg/kg) also reduces tumor growth in U2OS and 786-0 mouse xenograft models.Formal Name: [7-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl][3-fluoro-2-methyl-4-(methylsulfonyl)phenyl]-methanone. CAS Number: 1251156-08-7. Molecular Formula: C23H22FN3O4S. Formula Weight: 455.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 5 mg/ml (warmed). lambdamax: 275 nm. SMILES: NC1=NC=C(C2=CC(CN(C(C3=C(C)C(F)=C(S(C)(=O)=O)C=C3)=O)CCO4)=C4C=C2)C=C1. InChi Code: 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.
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