868662-36-6Relevant articles and documents
Synthesis, crystal structure and DFT study of a novel planar bipyridyl compound 6,6′-bis(trifluoromethyl)-3,3′-bipyridine
Liu, Ye,Zhao, Yongli,Ren, Qian,Zhou, Zhixu,Chai, Huifang,Zhao, Chunshen
, (2020)
A bipyridyl compound is a common ligand, and a complex formed after complexation with a metal is used to catalyze an organic reaction. Herein, 6,6′-bis(trifluoromethyl)-3,3′-bipyridyl was synthesized and the structure of the compound was confirmed by FT-IR, 1H NMR, 13C NMR and MS spectroscopies. At the same time, the single crystal of the title compound was measured by X-ray diffraction. The B3LYP method is used to calculate the optimized structure of the molecule by density functional theory (DFT) using the 6-311G(2 d, p) basis set, which was compared with the X-ray diffraction value. The results of the conformation analysis indicated that the molecular structure optimized by DFT was consistent with the crystal structure determined by X-ray single crystal diffraction. In addition, the molecular electrostatic potential and frontier molecular orbitals of the title compound were further investigated using DFT, revealing some physicochemical properties of the compound.
NOVEL COMPOUNDS AS GPR119 AGONISTS
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, (2017/10/26)
The present invention relates to novel compounds of formula (I) as GPR119 agonist, composition compositions containing such compounds and method of preparation thereof.
INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL
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Page/Page column 104; 105, (2016/04/09)
The present invention relates to pharmaceutical compounds of the Formula (I), or a pharmaceutically acceptable salt or composition thereof, and methods of their use for the treatment of pain, respiratory conditions, as well as inhibiting the Transient Receptor Potential Al ion channel (TRPA1).
