AB INITIO STRUCTURE SOLUTION FROM SYNCHROTRON XRPD: THE EXTREME CASE OF THE ANTICANCER DRUG SORAFENIB TOSYLATE (AKA NEXAVAR™, BAYER)

摘要

Sorafenib Tosylate (ST) is an important pharmaceutical drug used in the treatment of hepatocellular and renal cell carcinomas. More specifically it presents itself as a PDF and VEGF receptor kinase inhibitor (PDGF/VEGF = platelet-derived/vascular endothelial growth factor).1 Its crystal structure has recently been solved using single-crystal X-ray diffraction (SXD) and published.2 The molecular unit is made out of two separate ions and consists of 43 non-H atoms (Sorafenib = C_(21)H_(17)ClF_3N_4O_3+ and Tosylate = C_7H_7O_3S-).