21988-87-4Relevant articles and documents
Convenient one-step syntheses of homochiral C3-symmetric tris-ethers and tris-amides
Armstrong, Susan K.,Clunas, Scott,Muir, Kenneth W.
, p. 993 - 998 (1999)
A series of homochiral C3-symmetric triethers has been made in a one- step procedure from the corresponding homochiral alcohols. The range of present and potential structural variety is assessed, as is the triethers' potential use as ligands in organometallic complexes The synthesis of homochiral C3-symmetric triamides from amines and from aminols is also reported, with their potential metal binding characteristics.
Crystal structures of 1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene and 2,4,6-trimethyl-1,3,5-tris(4-oxymethyl-1-formylphenyl)benzene
Arockia Samy,Alexander
, p. 165 - 172 (2012)
The synthesis and X-ray crystal structure of 2,4,6-trimethyl-1,3,5-tris(4- oxymethyl-1-formylphenyl)benzene (2) and the crystal structure of its core molecule, 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene (1) are reported. The compounds 1 and 2 crystallize in the triclinic system with space group P i. The lattice parameters of 1 and 2 are a = 9.454(2) A, b = 9.478(4) A, c = 9.573(2) A, α = 116.53(2)°, β = 109.705(14)°, γ = 101.293(18)°, V = 658.5(4) and a = 15.7707(6) A, b = 16.3646(5) A, c = 18.2805(6) A, α = 83.202(2)°, β = 66.0120(10)°, γ = 73.704(2)°, V = 4137.2(2), respectively. In the crystals of 1 and 2, there are one and three molecules in the asymmetric unit, respectively. The packing of the molecules in the solid is stabilized through van der Waals interactions in 1 and weak C-H???O and C-H???π interactions in 2.
Experimental and theoretical studies of 1,3,5-tris (bromomethyl)-2,4,6-trimethylbenzene with 2-pyridone
Asha, R. Nandini,Rahini, M. Usha,Daisy, Caroline,Nayagam, B. Ravindran Durai,Bhuvanesh
, (2021)
In this present work, a new compound 1-({2,4,6-trimethyl-3,5-bis[(2-oxo-2H-pyridin-1-yl)methyl]phenyl}methyl)-2H-pyridin-2-one hydrate (M3P) has been synthesized and characterized by IR, 1H, and 13C NMR and single-crystal X-ray diffraction analysis. The molecular geometry, frontier molecular orbital energies, and thermodynamic properties of the title molecule were explored using density functional theory (DFT) calculation via B3LYP method with 631++G (d,p) basis set. The compound (M3P) crystallizes in the space group of P-1 with unit cell parameter a = 9.8224(12) ?, b = 11.6383(14) ?, c = 11.8865(14) ?, α = 64.6410(10)°, β = 81.156(2)°, γ = 69.5910(10)°, V = 1150.8(2) ?3, and Z = 2. Furthermore, Hirshfeld surface analysis was performed to observe better intermolecular interactions in the crystal packing. The nature of the interaction of M3P with DNA and BSA protein was studied using molecular docking analysis. DNA binding studies were also done using UV spectrophotometric method. The compound moderately binds with CT-DNA which is comparable with the docking results. in vitro anti-microbial activities against some bacterial and fungal strains were investigated. M3P shows good response against bacteria Pseudomonas aeruginosa and Klebsiella pneumonia and fungi Candida albicans and Aspergillus niger.
Facile preparation of extra-large pore zeolite ITQ-37 based on supramolecular assemblies as structure-directing agents
Chen, Fei-Jian,Gao, Zi-Hao,Liang, Li-Li,Zhang, Jun,Du, Hong-Bin
, p. 2735 - 2741 (2016)
The chiral germanosilicate zeolite ITQ-37 was prepared using a readily-obtained, semi-rigid achiral organic structure-directing agent (SDA) 1,1′,1′′-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)tris-(3-methyl-1H-imidazol-3-ium) (denoted tmbi). The synthetic factors, including crystallization temperature, water content, germanium and tmbi concentrations for the crystallization of ITQ-37, were studied by means of single crystal X-ray diffraction, powder X-ray diffraction, thermogravimetric analysis, liquid and 13C/19F/29Si solid NMR and photoluminescence spectroscopy. The results showed that high Ge content, high tmbi concentration and low temperature (150 °C) conditions favor the formation of extra-large pore ITQ-37 when supramolecular interactions between tmbi molecules occur. On the other hand, a much diluted tmbi solution and a higher reaction temperature favor the crystallization of an unknown lamellar phase, wherein tmbi is present as monomers. These studies revealed that supramolecular assemblies of tmbi were formed during the zeolite synthesis and acted as SDAs for crystallization of ITQ-37, providing a general and applicable strategy for synthesizing large and extra-large pore zeolites. The Royal Society of Chemistry.
Molecular design using electrostatic interactions. Part 1. Synthesis and properties of flexible tripodand tri- and hexa-cations with restricted conformations. Molecular selection of ferricyanide from ferrocyanide
Garratt, Peter J.,Ibbett, Ashley J.,Ladbury, John E.,O'Brien, Ronan,Hursthouse, Michael B.,Malik, K.M. Abdul
, p. 949 - 968 (1998)
1,3,5-Tri- and hexa-cations derived from 1,3,5-tris(bromomethyl)-2,4,6- trimethylbenzene and DABCO or quinuclidine have been prepared and their interaction with polyanions in aqueous solution investigated by 1H NMR titration and by isothermal titration calorimetry. The results from the two techniques are compared and the behaviour of these comparatively simple systems in water is shown to be complex. The trication 3b forms a crystalline precipitate with ferricyanide but not with ferrocyanide and can select for the one anion in the presence of the other. The structure of the ferricyanide salt 3e has been determined by X-ray crystallography.
2+ Unit-Encapsulated Trimetallic Cages: One-Pot Syntheses and Modulation of Argentophilic Interactions by the Uncoordinated Substituents
Jin, Guo-Xia,Zhu, Gui-Ying,Sun, Yan-Yan,Shi, Qing-Xiu,Liang, Li-Ping,Wang, Hai-Ying,Wu, Xiang-Wen,Ma, Jian-Ping
, (2019)
Four [Ag-Ag]2+ unit-encapsulated trimetallic cages 1-4 were synthesized from one new tripodal ligand L and silver salts in different solvent systems by a one-pot method. The formation of coordination cages occurred simultaneously with the condensation of amino groups and ketone. The remarkable structural feature of cages 1-4 is their spontaneous incorporation of [Ag-Ag]2+ cationic units. Moreover, the argentophilic interactions are modulated by the uncoordinated amino substituents. The study herein shows that modification and subtle changes of the cage structures could be realized by a one-pot synthetic method.
The development of a novel transforming growth factor-β (TGF-β) inhibitor that disrupts ligand-receptor interactions
Wu, Han,Sun, Yu,Wong, Wee Lin,Cui, Jiajia,Li, Jingyang,You, Xuefu,Yap, Lee Fah,Huang, Yu,Hong, Wei,Yang, Xinyi,Paterson, Ian C.,Wang, Hao
, (2020/01/21)
Transforming growth factor-β (TGF-β) plays an important role in regulating epithelial to mesenchymal transition (EMT) and the TGF-β signaling pathway is a potential target for therapeutic intervention in the development of many diseases, such as fibrosis and cancer. Most currently available inhibitors of TGF-β signaling function as TGF-β receptor I (TβR-I) kinase inhibitors, however, such kinase inhibitors often lack specificity. In the present study, we targeted the extracellular protein binding domain of the TGF-β receptor II (TβR-II) to interfere with the protein-protein interactions (PPIs) between TGF-β and its receptors. One compound, CJJ300, inhibited TGF-β signaling by disrupting the formation of the TGF-β-TβR-I-TβR-II signaling complex. Treatment of A549 cells with CJJ300 resulted in the inhibition of downstream signaling events such as the phosphorylation of key factors along the TGF-β pathway and the induction of EMT markers. Concomitant with these effects, CJJ300 significantly inhibited cell migration. The present study describes for the first time a designed molecule that can regulate TGF-β-induced signaling and EMT by interfering with the PPIs required for the formation of the TGF-β signaling complex. Therefore, CJJ300 can be an important lead compound with which to study TGF-β signaling and to design more potent TGF-β signaling antagonists.
''One-pot method'' for synthesis of capsule-like coordination compound containing Schiff base structural unit, and preparation method and application thereof
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Paragraph 0027; 0054; 0057, (2019/02/13)
The invention belongs to the technical field of preparation of complexes, and relates to a ''one-pot method'' for synthesis of a capsule-like complex containing a Schiff base structural unit and a preparation method and application thereof. Firstly, a three-arm ligand L as shown in the formula I is prepared, and the structural formula is as shown in the specification; and then, a capsule-like complex is obtained by the use of the three-arm ligand L and AgBF4, and the molecular formula is C91H100Ag5N30OS6Cl12F20B5 and the chemical formula is [Ag5(C84H90N30S6)].5(BF4).4(CHCl3).C3H6O. The capsule-like complex is applied to fluorescence recognition and enrichment purification of metal ions.
