Together these studies confirm that ONC201, produced by Oncoceutics or obtained from the NCI, possesses an angular structure that represents the highly active anti-cancer compound utilized in prior preclinical studies and now entering clinical trials in advanced cancers. Similarly, in accordance with our biological evaluation, the previously disclosed anti-cancer activity is associated with the angular structure and not the linear isomer. Here we confirm by NMR and X-ray structural analysis of the dihydrochloride salt form that the ONC201 material produced by Oncoceutics is the angular structure and not the linear structure originally depicted in the patent literature and by the NCI. A recent publication demonstrated that the chemical structure of ONC201 material from the NCI is an angular isomer of the originally disclosed, linear structure. that first reported the molecule's anticancer properties. The NCI and others generally accepted this as the correct structure, which was consistent with the mass spectrometry analysis outlined in the publication by Allen et. in the patent literature was described as an imidazopyridopyrimidine derivative.

The chemical structure that was originally published by Stahle, et. We previously identified TRAIL-inducing compound 10 (TIC10), also known as NSC350625 or ONC201, from a NCI chemical library screen as a small molecule that has potent anti-tumor efficacy and a benign safety profile in preclinical cancer models.

Mestrenova penn chem