Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms

2000 ◽  
pp. 4222-4223 ◽  
Author(s):  
Paul Wyatt ◽  
Craig P. Butts ◽  
Vipulkumar Patel ◽  
Ben Voysey
Keyword(s):  
Crystal Structures ◽  
The Novel ◽  
Enantiomerically Pure ◽  
X Ray

scholarly journals Synthesis, Superoxide Dismutase Mimetic and Anticancer Activities of Metal Complexes of 2,2-Dimethylpentanedioic Acid(2dmepdaH2) and 3,3-Dimethylpentanedioic acid(3dmepdaH2): X-Ray Crystal Structures of [Cu(3dmepda)(bipy)]2⋅6H2Oand [Cu(2dmepda)(bipy)(EtOH)]2⋅4EtOH(bipy=2,2′Bipyridine)

2006 ◽  
Vol 2006 ◽  
pp. 1-11 ◽  
Author(s):  
Michael Devereux ◽  
Malachy McCann ◽  
Denis O'Shea ◽  
Mark O'Connor ◽  
Eileen Kiely ◽  
...  
Keyword(s):  
Hepatocellular Carcinoma ◽  
Superoxide Dismutase ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Cell Lines ◽  
Copper Complexes ◽  
The Novel ◽  
Anticancer Activities ◽  
Adenocarcinoma Cell ◽  
X Ray

2,2-dimethylpentanedioic acid (2dmepdaH2) and 3,3-dimethylpentanedioic acid (3dmepdaH2) reacted with copper(II) acetate to give [Cu(2dmepda)(H2O)3]2(1) and [Cu(3dmepda)(H2O)3]2(2). Reaction of (1) and (2) with 1,10-phenanthroline and 2,2′-bipyridine yielded [Cu(2dmepda)(phen)(H2O)]20.5phen (3), [Cu(2dmepda)(bipy)(H2O)]2(4), [Cu(2dmepda)(bipy)(EtOH)]2⋅2EtOH(4A), [Cu(3dmepda)(phen)(H2O)]2(5), and [Cu(3dmepda)(bipy)(H2O)]2⋅(6). The structures of (4A) and (6) each consists of a [Cu(bipy)(dicarboxylate)(solvent)]2dimer. The superoxide dismutase (SOD) mimetic activity of the novel copper complexes and their manganese analogues was investigated. The dimethyl sulphoxide(DMSO) soluble complexes (1)–(4) and (6) were assessed for their cancer chemotherapeutic potential towards hepatocellular carcinoma and kidney adenocarcinoma cell lines. The 1,10-phenanthroline containing complex [Cu(2dmepda)(phen)(H2O)]20.5phen (3) was the most potent with activity that compares well to that ofcisplatin.

scholarly journals X-ray Structure of Main Protease of the Novel Coronavirus SARS-CoV-2 Enables Design of α-Ketoamide Inhibitors

2020 ◽  
Author(s):  
Linlin Zhang ◽  
Daizong Lin ◽  
Xinyuanyuan Sun ◽  
Katharina Rox ◽  
Rolf Hilgenfeld
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Atypical Pneumonia ◽  
The Novel ◽  
Replication Complex ◽  
X Ray ◽  
Main Protease ◽  
Pharmacokinetic Properties ◽  
Novel Coronavirus ◽  
Further Development

AbstractA novel coronavirus has been identified as the causative agent of a massive outbreak of atypical pneumonia originating at Wuhan, Hubei province, China. Involved in the formation of the coronavirus replication complex, the viral main protease (Mpro, also called 3CLpro) represents an attractive target for therapy. We determined the crystal structure of the unliganded Mpro at 1.75 Å resolution and used this structure to guide optimization of a series of alpha-ketoamide inhibitors. The main goal of the optimization efforts was improvement of the pharmacokinetic properties of the compounds. We further describe 1.95- and 2.20-Å crystal structures of the complex between the enzyme and the most potent alpha-ketoamide optimized this way. These structures will form the basis for further development of these compounds to antiviral drugs.

Synthesis of Racemic and Enantiomerically Pure (R*,R*,R*)-Tris(α-methylbenzyl)phosphane− X-ray Crystal Structures of the Phosphane Oxides and Borane Complexes

2003 ◽  
Vol 2003 (21) ◽  
pp. 4216-4226 ◽  
Author(s):  
Paul Wyatt ◽  
Helen Eley ◽  
Jonathan Charmant ◽  
Berian J. Daniel ◽  
Anob Kantacha
Keyword(s):  
Crystal Structures ◽  
Enantiomerically Pure ◽  
X Ray

A Chemoenzymatic Synthesis of the cis-Decalin Core Associated with the Novel Anti-Mitotic Agent Phomopsidin: Some Observations Concerning a High-Pressure-Promoted Diels–Alder Cycloaddition Reaction of (1S,2R)-3-Methyl-cis-1,2-dihydrocatechol and the Anionic Oxy–Cope Rearrangement of Compounds Derived from the Adduct

2004 ◽  
Vol 57 (7) ◽  
pp. 641 ◽  
Author(s):  
Martin G. Banwell ◽  
Alison J. Edwards ◽  
Malcolm D. McLeod ◽  
Scott G. Stewart
Keyword(s):  
Cycloaddition Reaction ◽  
Diels Alder ◽  
Chemoenzymatic Synthesis ◽  
Cope Rearrangement ◽  
The Novel ◽  
X Ray Diffraction ◽  
Enantiomerically Pure ◽  
X Ray ◽  
Wittig Rearrangements ◽  
Rearrangement Reaction

The enantiomerically pure and enzymatically derived cis-1,2-dihydrocatechol 2 engages in a diastereofacially selective Diels–Alder cycloaddition reaction with commercially available lactone 3 at 19 kbar to afford adduct 4, which is readily elaborated to the diene-ol 13. Treatment of this last compound with KH/18[crown]-6 resulted in successive anionic oxy-Cope and 1,2-Wittig rearrangements to afford acyloin 14 embodying the cis-decalin core associated with the natural product phomopsidin (1). Compound 16 also engages in an anionic oxy-Cope rearrangement reaction to give, depending on the molar equivalents of base used, either the cis-decalin 17 or the hexahydroindene 18. The structure of compound 18 has been established by single-crystal X-ray diffraction analysis.

Chemistry and Crystal Structures of Some Constituents of Zingiber cassumunar

1979 ◽  
Vol 32 (1) ◽  
pp. 71 ◽  
Author(s):  
T Amatayakul ◽  
J Cannon ◽  
P Dampawan ◽  
T Dechatiwongse ◽  
RF Giles ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Crystal Structures ◽  
Structure Determination ◽  
Aromatic Compounds ◽  
Crystal Structure Determination ◽  
The Novel ◽  
X Ray ◽  
Zingiber Cassumunar ◽  
Block Diagonal

The novel aromatic compounds cis-3-(2',4',5'-trimethoxyphenyl)-4-[(E)-2''',4''',5'''-trimethoxy-styryl]cyclohex-1-ene(1), cis-3-(3',4'-dimethoxyphenyl)-4-[(E)-3''',4'''-dimethoxystyryl]cyclohex-1-ene (2), a substance assigned the tentative structure cis-3-(3',4'-dimethoxyphenyl)-4-[(E)-2''',4''',5'''- trimethoxystyryl]cyclohex-1-ene (3),(E)-4-(3',4'-dimethoxypheny1)but-3-en-1-ol (5), (E)-4-(3',4'-dimethoxypheny1)but-3-en-1-yl acetate (6), and 8-(3',4'-dimethoxyphenyl)-2-methoxynaphtho-1,4- quinone (7) have been isolated from the rhizomes of Zingiber cassurnunav Roxb. (Zingiberaceae). The crystal structures of the cyclohexene derivative (1) and the quinone (7) have been determined from X-ray diffractometer data at 295 K and refined by block diagonal least squares to residuals of 0.046 (2099 'observed' reflections) and 0.093 (1246), respectively. Crystals of compound (1) are triclinic, P1, a 18.027(12), b 10.037(9), c 6.530(5) α, 84.22 (7), β 81.87 (6), γ 85.72 (6)�, Z 2. Crystals of the quinone (7) are monoclinic, P21/a, a 22.89 (1), b 8.022 (5), c 8.458 (5) �, β 91.98 (5)�, Z 4. Although the latter crystal structure determination is imprecise, due largely to the very small size of the crystal available, the solution is unambiguous. A simple two-step synthesis of the quinone (7) has been achieved.

Preparations, X-ray Crystal Structures, and FT-Raman Spectra of M3Cl3AsF6 (M = S, Se) Containing the Novel Sulfur-Chlorine and Selenium-Chlorine Cations ClS+(Cl)SSCl and ClSe+(Cl)SeSeCl

1994 ◽  
Vol 33 (18) ◽  
pp. 3849-3851 ◽  
Author(s):  
Pradip Bakshi ◽  
Paul D. Boyle ◽  
T. Stanley Cameron ◽  
Jack Passmore ◽  
Gabriele Schatte ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Raman Spectra ◽  
The Novel ◽  
X Ray ◽  
Ft Raman
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