54535-22-7Relevant articles and documents
Intramolecular resonance assisted N–H???O=C hydrogen bond and weak noncovalent interactions in two asymmetrically substituted geminal amido-esters: Crystal structures and quantum chemical exploration
Ilangovan, Andivelu,Percino, M. Judith,Thamotharan, Subbiah,Venkatesan, Perumal
, (2021)
Two asymmetrically substituted geminal amido-esters, namely ethyl (2E)-2-[(2,5-dimethoxy phenyl)carbamoyl]-3-[(4-nitrophenyl)amino] prop-2-enoate (I) and ethyl (2E)-2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]-3-(phenylamino) prop-2-enoate (II) were synthesized and the nature and strength of intramolecular resonance assisted hydrogen bond (RAHB) and non-RAHB was studied. X-ray analysis revealed that intramolecular N–H???O, and C–H???O interactions lead to the formation of angularly fused pseudo tricyclic (A-C) motif in compound I and fused pseudo pentacyclic (A-E) motif in compound II. Intramolecular RAHB; non-RAHB interactions are characterized and quantified by Bader's quantum theory of atoms-in-molecules approach (QTAIM). In both compounds, ring A was found to exhibit intramolecular RAHB characteristics. Crystal structures of I and II are stabilized by weak intermolecular C–H???O, C–H???π, and π???π interactions. Intermolecular interaction energies for different molecular dimers in I and II have been quantified by using the PIXEL, QTAIM, and DFT methods. The pseudoring stacking interaction is observed only in compound II whereas no such stacking interactions are seen in compound I. Hirshfeld surface (HS) analysis suggested that the H???H and O???H contacts are the first and second dominant contacts in both crystal structures. The theoretical charge density analysis revealed that the C–H???O and C–H???C(π) interactions produce closed-shell characteristics. Further, the crystal packing of compounds I and II analyzed based on the energy frameworks.
Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases
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Page/Page column 114, (2021/04/21)
The present invention features compositions comprising a plurality of therapeutic agents wherein the presence of one therapeutic agent enhances the properties of at least one other therapeutic agent. In one embodiment, the therapeutic agents are cystic fibrosis transmembrane conductance regulators (CFTR) such as a CFTR corrector or CFTR potentiator for the treatment of CFTR mediated diseases such as cystic fibrosis. Methods and kits thereof are also disclosed.
Substituent-controlled chemoselective synthesis of multi-substituted pyridones: Via a one-pot three-component cascade reaction
Liu, Shitao,Li, Jisen,Lin, Junjie,Liu, Fujun,Liu, Teng,Huang, Chao
, p. 1130 - 1134 (2020/02/22)
An efficient and concise one-pot strategy for the synthesis of multisubstituted pyridones via a one-pot three-component cascade reaction catalyzed by Cs2CO3 under solvent-free conditions has been developed. The substituent-controlled chemoselective cycloaddition process involved steps including a Michael addition/ethanol elimination/intermolecular cyclization sequence utilizing anilines, diethyl acetylenedicarboxylate, and diethyl ethoxymethylenemalonate. In doing so, various 2-pyridone and 4-pyridone species (41 examples) could be obtained in good to excellent yields.
