- Synthesis, crystal structure and DFT study of a novel planar bipyridyl compound 6,6′-bis(trifluoromethyl)-3,3′-bipyridine
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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.
- Liu, Ye,Zhao, Yongli,Ren, Qian,Zhou, Zhixu,Chai, Huifang,Zhao, Chunshen
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- Discovery of Orally Bioavailable and Liver-Targeted Hypoxia-Inducible Factor Prolyl Hydroxylase (HIF-PHD) Inhibitors for the Treatment of Anemia
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We report herein the design and synthesis of a series of orally active, liver-targeted hypoxia-inducible factor prolyl hydroxylase (HIF-PHD) inhibitors for the treatment of anemia. In order to mitigate the concerns for potential systemic side effects, we
- Liu, Ping,Wang, Liping,Dubois, Byron G.,Colandrea, Vincent J.,Liu, Rongqiang,Cai, Jiaqiang,Du, Xiaoxing,Quan, Weiguo,Morris, William,Bai, Jianwu,Bishwokarma, Bimjhana,Cheng, Mangeng,Piesvaux, Jennifer,Ray, Kallol,Alpert, Carla,Chiu, Chi-Sung,Zielstorff, Mark,Metzger, Joseph M.,Yang, Liming,Leung, Dennis,Alleyne, Candice,Vincent, Stella H.,Pucci, Vincenzo,Li, Xiaofang,Crespo, Alejandro,Stickens, Dominique,Hale, Jeffrey J.,Ujjainwalla, Feroze,Sinz, Christopher J.
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supporting information
p. 1193 - 1198
(2018/12/11)
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- NOVEL COMPOUNDS AS GPR119 AGONISTS
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The present invention relates to novel compounds of formula (I) as GPR119 agonist, composition compositions containing such compounds and method of preparation thereof.
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- INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL
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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).
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Page/Page column 104; 105
(2016/04/09)
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- INHIBITORS OF HIF PROLYL HYDROXYLASE
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The present invention concerns compounds of formula I or pharmaceutically acceptable salts thereof, which inhibit HIF prolyl hydroxylase, their use for enhancing endogenous production of erythropoietin, and for treating conditions associated with reduced endogenous production of erythropoietin such as anemia and like conditions, as well as pharmaceutical compositions comprising such a compound and a pharmaceutical carrier.
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Page/Page column 242
(2016/04/20)
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- BI-ARYL AMINOTETRALINES
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The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein R1-R5, A, B, Q, W, and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.
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Page/Page column 17
(2010/03/04)
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- Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: Synthesis and Suzuki-Miyaura cross-coupling reactions
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The synthesis of trifluoromethyl-substituted pyridylboronic acids and pyrazolylboronic esters is described via lithiation-boronation protocols (Schemes 1, 3 and 4). A study of their palladium-catalysed cross-couplings with heteroaryl halides is presented.
- Clapham, Kate M.,Batsanov, Andrei S.,Bryce, Martin R.,Tarbit, Brian
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supporting information; experimental part
p. 2155 - 2161
(2009/09/04)
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