1122482-45-4Relevant academic research and scientific papers
Doublet Chirality Transfer and Reversible Helical Transition in Poly(3,5-disubstituted phenylacetylene)s with Pyrene as a Probe Unit?
Wang, Sheng,Feng, Xuanyu,Zhang, Jie,Wan, Xinhua
, p. 570 - 576 (2020)
A novel doublet chirality transfer (DCT) model was demonstrated in cis poly(3,5-disubstituted phenylacetylene)s, i.e., S-I, R-I, and S-I-NMe. The chiral message from the stereocenter of alkylamide substituent at 3-position induced the polyene backbone to take cis-transoid helical conformation with a predominant screw sense. And in turn the helical backbone acted as a scaffold to orient the pyrene probes, which was linked to phenyl rings through 5-position, to array in an asymmetric manner. A combinatory analyses of 1H NMR, Raman, FTIR, UV-vis absorption, CD, and computer simulation suggested that the main-chain stereostructure, solvent nature, and intramolecular hydrogen bonds played important and complex roles on DCT. High cis-structure content and intramolecular hydrogen bonds were beneficial for the realization of DCT. Reversible helix-helix transition was observed in S-I by changing the nature of solvents. In DMF, S-I adopted a relatively contracted helix, where the main chain exhibited strong optical activity, but that of pyrene was weak. In contrast, a relatively stretched helix formed in CHCl3, in which the optical activity of pyrene was much larger, whereas that of the polyene backbone was the weakest. This helix-helix transition was attributed to the intramolecular hydrogen bonds, which was confirmed by solution-state FTIR spectra and computer calculations.
Molecular modeling, synthesis, and activity studies of novel biaryl and fused-ring BACE1 inhibitors
Chirapu, Srinivas Reddy,Pachaiyappan, Boobalan,Nural, Hikmet F.,Cheng, Xin,Yuan, Hongbin,Lankin, David C.,Abdul-Hay, Samer O.,Thatcher, Gregory R.J.,Shen, Yong,Kozikowski, Alan P.,Petukhov, Pavel A.
scheme or table, p. 264 - 274 (2009/05/26)
A series of transition state analogues of beta-secretases 1 and 2 (BACE1, 2) inhibitors containing fused-ring or biaryl moieties were designed computationally to probe the S2 pocket, synthesized, and tested for BACE1 and BACE2 inhibitory activity. It has
