Compound 401

Compound 401 is an inhibitor of DNA-dependent protein kinase (DNA-PK) and mammalian target of rapamycin (mTOR, IC50s = 0.28 and 5.3 µM, respectively). It is selective for DNA-PK and mTOR over PI3K, ATM, and ATR (IC50s = >100 µM for all). Compound 401 (10 µM) inhibits phosphorylation of the mTOR targets S6K1 and Akt in Rat-1 fibroblasts and in M059J glioma cells that lack DNA-PK. It inhibits proliferation of mouse embryonic fibroblasts (MEFs) lacking tuberous sclerosis complex 1 (TSC1-/-, IC50 = 2 µM), a complex associated with hamartomas that display hyperactive mTOR signaling, but not TSC1+/+ MEFs. Compound 401 also induces apoptosis in TSC1-/- MEFs.Formal Name: 2-(4-morpholinyl)-4H-pyrimido[2,1-a]isoquinolin-4-one. CAS Number: 168425-64-7. Molecular Formula: C16H15N3O2. Formula Weight: 281.3. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 1 mg/ml, Ethanol: 0.5 mg/ml. lambdamax: 214, 252, 276 nm. SMILES: O=C1N2C(C(C=CC=C3)=C3C=C2)=NC(N4CCOCC4)=C1. InChi Code: InChI=1S/C16H15N3O2/c20-15-11-14(18-7-9-21-10-8-18)17-16-13-4-2-1-3-12(13)5-6-19(15)16/h1-6,11H,7-10H2. InChi Key: BVRDQVRQVGRNHG-UHFFFAOYSA-N.