Wang, Le; Doherty, George A.; Judd, Andrew S.; Tao, Zhi-Fu; Hansen, T. Matthew; Frey, Robin R.; Song, Xiaohong; Bruncko, Milan; Kunzer, Aaron R.; Wang, Xilu; Wendt, Michael D.; Flygare, John A.; Catron, Nathaniel D.; Judge, Russell A.; Park, Chang H.; Shekhar, Shashank; Phillips, Darren C.; Nimmer, Paul; Smith, Morey L.; Tahir, Stephen K.; Xiao, Yu; Xue, John; Zhang, Haichao; Le, Phuong N.; Mitten, Michael J.; Boghaert, Erwin R.; Gao, Wenqing; Kovar, Peter; Choo, Edna F.; Diaz, Dolores; Fairbrother, Wayne J.; Elmore, Steven W.; Sampath, Deepak; Leverson, Joel D.; Souers, Andrew James published the artcile< Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-XL Inhibitor>, HPLC of Formula: 936250-20-3, the main research area is tumor BCLXL BCL2 apoptosis A1155463 structure based drug design.
Herein we describe the discovery of A-1331852(I), a first-in-class orally active BCL-XL inhibitor that selectively and potently induces apoptosis in BCL-XL dependent tumor cells. This mol. was generated by re-engineering our previously reported BCL-XL inhibitor A-1155463 using structure-based drug design. Key design elements included rigidification of the A-1155463 pharmacophore and introduction of sp3-rich moieties capable of generating highly productive interactions within the key P4 pocket of BCL-XL. A-1331852 has since been used as a critical tool mol. for further exploring BCL-2 family protein biol., while also representing an attractive entry into a drug discovery program.
ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 936250-20-3 belongs to class pyrazoles-derivatives, and the molecular formula is C10H17BN2O2, HPLC of Formula: 936250-20-3.
Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics