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Compound I

A DFT Study of the Heme Role in the N Demethylation of Theophylline Mediated by Compound I of Cytochrome P450

A DFT Study of the Heme Role in the N Demethylation of Theophylline Mediated by Compound I of Cytochrome P450

... reaction theophylline comes into contact with compound I to form a kind of encounter complex. This apparently small binding energy for the complex can be attributed to the absence of the protein ...

5

3 (Di­cyano­methyl­ene) 1,5 di­phenyl­penta 1,4 diyne

3 (Di­cyano­methyl­ene) 1,5 di­phenyl­penta 1,4 diyne

... reference compound, we prepared the title compound, (I), by the condensation of 1,5-diphenylpenta-1,4-diyn-4-one with malonitrile in acetic acid/ethanol in the presence of β-alanine as catalyst ...

8

Bis­[N,N bis­(2 hy­droxy­ethyl)­di­thio­carbamato S,S′]di­phenyl­tin(IV)

Bis­[N,N bis­(2 hy­droxy­ethyl)­di­thio­carbamato S,S′]di­phenyl­tin(IV)

... title compound, (I), are similar to those found in diphenyltin bis(diethyldithiocarbamate); in the title compound, the hydroxyl group of each dithiocarbamate ligand is hydrogen bonded to the hydroxyl ...

10

Bis­(cyclo­octa­tetraenyl)­thulium lithium tris­­(tetra­hydro­furan)

Bis­(cyclo­octa­tetraenyl)­thulium lithium tris­­(tetra­hydro­furan)

... lanthanide compound and, therefore, decided to employ the donor-functionalized terphenyl ligand Danip [Danip = 2,6-di(o-anisol)phenyl] (Rabe et ...terphenyl compound was not obtained, but an anionic bis-COT ...

12

Conformational chirality of chemically symmetric mol­ecules and a superlattice through enantioselective self assembly: 1,1,1 tris­­[(4 cyano­phen­oxy)­methyl]­ethane

Conformational chirality of chemically symmetric mol­ecules and a superlattice through enantioselective self assembly: 1,1,1 tris­­[(4 cyano­phen­oxy)­methyl]­ethane

... Compound (I) was synthesized by reacting 1,1,1-tris(bromomethyl)- ethane and potassium 4-cyanophenoxide, analogous to the procedure for the preparation of tetrakis[(4-cyanophenoxy)methyl]methane (Xu et al., ...

9

Di­chloro­bis­[(S) 2,3,5,6 tetra­hydro 6 phenyl­imidazo[2,1 b]thia­zole]nickel(II)

Di­chloro­bis­[(S) 2,3,5,6 tetra­hydro 6 phenyl­imidazo[2,1 b]thia­zole]nickel(II)

... (2002). The ligand of this last complex arises from a C—S bond cleavage of levamisole hydrochloride. To date, only the structures of the last two complexes have been determined by X-ray diffraction methods. We report ...

15

Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives

Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives

... these compound three biologically active Tetra-substituted imidazole derivatives (I&II) were synthesized by the multi-component reaction which provide us most powerful platform to access diversity as ...

7

[2 (Benzotriazol 1 yl)eth­yl][2 (benzotriazol 2 yl)ethyl]amine

[2 (Benzotriazol 1 yl)eth­yl][2 (benzotriazol 2 yl)ethyl]amine

... Benzotriazole and its derivatives have good anti-wear prop- erties, and they are well established corrosion inhibitors for copper and its alloys (Ren et al., 1994; Dugdale & Cotton, 1963). In view of these ...

9

2 (Adamantan 1 yl) 5 methyl­benzo­[d][1,3]­oxazin 4 one

2 (Adamantan 1 yl) 5 methyl­benzo­[d][1,3]­oxazin 4 one

... The title compound, (I), has a planar benzo[d][1,3]oxazin-4- one heterocycle that lies on a crystallographic mirror plane. The molecular structure of (I) is shown in Fig. 1 and selected bond ...

7

Unraveling the Multiple Enzymatic Activities of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata.

Unraveling the Multiple Enzymatic Activities of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata.

... (Compound I), WT ferric DHP B (Compound ES), or oxyferrous DHP B (Compound II) were employed, virtually identical substrate loss and product formation were ...(Compounds I, ES, and II) ...

238

anti 2,19 Di­eth­oxy­carbonyl 2,19 di­formyl­amino­[3 2 3 2]­para­cyclo­phane

anti 2,19 Di­eth­oxy­carbonyl 2,19 di­formyl­amino­[3 2 3 2]­para­cyclo­phane

... Macrocyclic molecules act as synthetic receptors in molecular recognition (Keehn & Rosenfeld, 1983). Incorporation of the unusual amino acid Aib (-aminoisobutyric acid) with a paracyclophane unit resulted in the ...

10

4,4,4 Tri­fluoro trans 2 butenoic acid

4,4,4 Tri­fluoro trans 2 butenoic acid

... title compound, (I), was determined as part of a study into the polymorphic forms of the related compound tetrolic acid and an investigation into the structures preferentially formed by small ...

6

Kinetic Studies of Dehaloperoxidase-Hemoglobin From Amphitrite Ornata

Kinetic Studies of Dehaloperoxidase-Hemoglobin From Amphitrite Ornata

... form compound I and water. Compound I then reacts with the substrate to form compound II and a free ...Next compound II reacts with a second substrate to form a second free ...

120

6 (4 Chloro­phenyl) 4 [4 (di­methyl­amino)­phenyl] 2 (pyrrolidin 1 yl)­nicotino­nitrile

6 (4 Chloro­phenyl) 4 [4 (di­methyl­amino)­phenyl] 2 (pyrrolidin 1 yl)­nicotino­nitrile

... (nicotinamide adenine dinucleotide) molecule, which is the oxidized form of the coenzyme NADH, plays a key role in energy-producing processes (Stryer, 1988) and in the redox processes catalysed by various protein ...

15

Synthesis and Phase Transition Study of New Mesogence Derived from 1, 4-Phenylenediamine

Synthesis and Phase Transition Study of New Mesogence Derived from 1, 4-Phenylenediamine

... Synthesis of di methyl 2, 2’-(1, 4- phenylene bis (azanediyl)) Diacetate [II] In 200 mL absolute methanol added (55.158gm, 0.246mol) of compound [I] and (5.4mL) of sulfuric acid. The mixture was refluxed ...

8

3 Benzoyl 1,3 oxazolidin 2 one

3 Benzoyl 1,3 oxazolidin 2 one

... Oxazolidinone derivatives have a high potential for biological activity, e.g. they have been widely used as pesticides and fungicides (Edwin & Bing, 1963). As a continuation of our work on the structure–activity ...

8

Distinctive Routs:Electrochemical and Spectrophotometric Studies and Dissociation Constants Determination of Some Aminopyridine Azo-Dye Derivatives in Aqueous Media

Distinctive Routs:Electrochemical and Spectrophotometric Studies and Dissociation Constants Determination of Some Aminopyridine Azo-Dye Derivatives in Aqueous Media

... The differential pulse polarographic of azo compounds (I-IV) was investigated in B.R. buffer solutions of different pH values containing 20% (v/v) ethanol. The DP-polarograms of all azo compounds (I-IV) ...

17

Crystal structure of 4 benzyl­carbamoyl 1 methyl­pyridin 1 ium iodide: an efficient multimodal anti­viral drug

Crystal structure of 4 benzyl­carbamoyl 1 methyl­pyridin 1 ium iodide: an efficient multimodal anti­viral drug

... I , a cation and an anion form an ionic pair linked by a strong N—H I hydrogen bond. In the crystal, ionic pairs linked by weak C—H I hydrogen bonds form infinite ribbons along the crystallographic a ...

8

A three dimensional iodo bridged mixed valence gold(I,III) compound, Rb2[AuII2][AuIIII4]

A three dimensional iodo bridged mixed valence gold(I,III) compound, Rb2[AuII2][AuIIII4]

... cating a geometrical deviation from its perfect fit (t = 1). The tolerance factor of (I) [0.837, using the radii given by Shannon (1976)] is rather small for those compounds belonging to the perovskite family. ...

5

Tris­(penta­fluoro­phenyl)[2 (di­phenyl­phosphino)thio­phenol κP]­gold(III) di­chloro­methane solvate

Tris­(penta­fluoro­phenyl)[2 (di­phenyl­phosphino)thio­phenol κP]­gold(III) di­chloro­methane solvate

... thiol group, which is a potential site for further reactions. The structure of (I) is shown in Fig. 1. The gold centre displays square-planar geometry, with bond angles (Table 1) close to the ideal values. The ...

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