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XL388

SIGMA/SML1239 - ≥98% (HPLC)

Synonym: XL-388; [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
Empirical Formula (Hill Notation): C23H22FN3O4S
Molecular Weight: 455.50
Linear Formula: C23H22FN3O4S
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1239-5MG 5 mg
 $128.00
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assay ≥98% (HPLC)
color white to beige
form powder
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
Quality Level 100 
SMILES string Fc1c(ccc(c1C)C(=O)N2CCOc3c(cc(cc3)c4c[nH][c](cc4)=N)C2)[S](=O)(=O)C
solubility DMSO: 5 mg/mL, clear (warmed)
storage temp. −20°C
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.
Biochem/physiol Actions: XL388 is a potent, selective, orally bioavailable ATP-competitive inhibitor of mammalian target of rapamycin (mTOR).
Packaging: 5, 25 mg in glass bottle
Purity ≥98% (HPLC)
Storage Temp. −20°C
UNSPSC 12352200

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