XL 388

Chemical Information
mTORC1/mTORC2 Inhibitor XL388 is an orally bioavailable, ATP-competitive inhibitor of raptor-mammalian target of rapamycin (mTOR) complex 1 (mTOR complex 1; mTORC1; TOR complex 1; TORC1) and rictor-mTOR (mTOR complex 2; mTORC2; TOR complex 2; TORC2), with potential antineoplastic activity. Upon oral administration, mTORC1/mTORC2 inhibitor XL388 targets, selectively binds to and inhibits both mTORC1 and mTORC2, which may result in apoptosis and a decrease in proliferation in mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in some tumors; it plays an important role in the PI3K/Akt/mTOR signaling pathway which is often deregulated in cancer cells.
| CAS Number | 1251156-08-7 |
| PubChem CID | 59604787 |
| IUPAC Name | [7-(6-amino-3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone |
| Molecular Formula | C23H22FN3O4S |
| Molecular Weight | 455.5 |
| XLogP | 2.5 |
| Topological Polar Surface Area | 111 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 776 |
| Property | Value |
|---|---|
| Molecular Weight | 455.5 |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 455.13150553 |
| Monoisotopic Mass | 455.13150553 |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 776 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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