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The Raman spectrum of phenyl radical (C6H5) isolated in low-temperature argon matrices has been obtained. The assignments of experimentally observed frequencies are based on comparison with results of quantum chemical calculations (B3LYP/cc-pVTZ) and with infrared absorption bands measured for 12C6H5 and 13C6H5 species. Analysis of the IR and Raman spectra, including IR linear dichroism, and of the isotopic shifts caused by 12C → 13C substitution allows to reconfirm most of the previous assignments and to introduce some corrections. The prominent ring breathing mode, characteristic for benzenoid compounds (991 cm-1 in benzene), occurs in phenyl radical at 998 cm-1.

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The identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor–ligand complex are reported.

The discovery and structure-activity relationship of a series of hA(2A) receptor antagonists is described. Compound 28 was selected from the series as a potent and selective compound and was shown to be efficacious in an in vivo model of Parkinson's disease. It had acceptable ADME properties; however, the low intrinsic solubility of this compound was limiting for its developability, because the oral bioavailability from dosing in suspension was significantly lower than the oral bioavailability from solution dosage. As a consequence, prodrugs of 28 were prepared with dramatically increased aqueous solubility. The prodrugs efficiently delivered 28 into systemic circulation, with no detectable levels of prodrug in plasma samples. From this investigation, we selected 32 (Lu AA47070), a phosphonooxymethylene prodrug of 28, as a drug candidate.