1207172-72-2Relevant academic research and scientific papers
Artificial intelligence designed drug synthesis: One-pot preparation of trans β-lactams and application to cholesterol absorption inhibitor SCH 47949 synthesis
Takabatake, Tetsuhiko,Yoneda, Takumi,Otsuka, Jyo,Kagawa, Natsuko,Toyota, Masahiro
, (2019)
An artificial intelligence designed SCH 47949 synthesis is achieved in a stereoselective manner. The key step contains a stereoselective one-pot construction of the trans β-lactam framework via thermal electrocyclization. N-arylation of the β-lactam ring system and a series of functional group transformations synthesized SCH 47949 in a reasonable chemical yield.
Artificial intelligence-designed stereoselective one-pot synthesis of trans-β-lactams and its application to cholesterol absorption inhibitor SCH 47949 synthesis
Kagawa, Natsuko,Otsuka, Jyo,Takabatake, Tetsuhiko,Toyota, Masahiro,Yoneda, Takumi
, p. 60 - 84 (2020/01/28)
Cholesterol absorption inhibitor drug SCH 47949 is synthesized stereoselectively using an artificial intelligence design proposed by SYNSUP. The key step involves a stereoselective one-pot preparation of the trans-β-lactam system through thermal electrocyclization. The trans-β-lactam intermediate is converted to SCH 47949 by a series of functional group transformations proposed by SYNSUP.
Dapdiamides, tripeptide antibiotics formed by unconventional amide ligases
Dawlaty, Jessica,Zhang, Xiaorong,Fischbach, Michael A.,Clardy, Jon
experimental part, p. 441 - 446 (2010/08/19)
Construction of a genomic DNA library from Pantoea agglomerans strain CU0119 and screening against the plant pathogen Erwinia amylovora yielded a new family of antibiotics, dapdiamides A-E (1-5). The structures were established through 2D-NMR experiments and mass spectrometry, as well as the synthesis of dapdiamide A (1). Transposon mutagenesis of the active cosmid allowed identification of the biosynthetic gene cluster. The dapdiamide family's promiscuous biosynthetic pathway contains two unconventional amide ligases that are predicted to couple its constituent monomers.
