XL-388

XL-388
Identifiers
	IUPAC name [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone;
CAS Number	1251156-08-7 ;
PubChem CID	59604787;
ChemSpider	28824127;
UNII	B7I5G3Z7XR;
ChEMBL	ChEMBL2333365;
CompTox Dashboard (EPA)	DTXSID901336669 ;
Chemical and physical data
Formula	C23H22FN3O4S
Molar mass	455.50 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N;
	InChI 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); Key:LNFBAYSBVQBKFR-UHFFFAOYSA-N;

XL-388 is a drug which acts as a potent and selective inhibitor of both subtypes of the mechanistic target of rapamycin (mTOR), mTORC1 and mTORC2.^[1] It is being researched for the treatment of various forms of cancer,^[2]^[3]^[4] and has also been used to demonstrate a potential application for mTOR inhibitors in the treatment of neuropathic pain.^[5]^[6]

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Identifiers

IUPAC name [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
CAS Number	1251156-08-7^Y
PubChem CID	59604787
ChemSpider	28824127
UNII	B7I5G3Z7XR
ChEMBL	ChEMBL2333365
CompTox Dashboard (EPA)	DTXSID901336669
Chemical and physical data
Formula	C₂₃H₂₂FN₃O₄S
Molar mass	455.50 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N
InChI 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) Key:LNFBAYSBVQBKFR-UHFFFAOYSA-N