Month: April 2022

Computed Properties of C11H21BrO2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Evaluation of diuretic activity of crude extracts of leaves of filicium decipiens and analysis of biomolecules present in fraction of methanolic extract using GC-MS technique. Author is Basarikatti, A. I.; Uppar, V.; Padmashali, B..

Filicium decipiens belongs to the Sapindaceae family, which is commonly known as fern tree, is found in the Western Ghats of southern India, small highland areas of East Africa and Sri Lanka and it is a medium to a large evergreen tree. It is commonly cultivated in gardens and roadsides as ornamental, noise barriers and windbreak plant. Filicium decipiens traditionally used for the treatment of diabetes in India. The leaves of Filicium decipiens have been collected from the Western Ghats of southern India, shade dried and powd. well. The finely powd. leaves have been extracted with petroleum ether, chloroform, methanol and water successively with an increase in polarity. The methanolic extract was column chromate-graphed using silica gel G 100-200 mesh to get brown color crystalline solid, which was analyzed for the presence of bioactive chem. constituents using Gas chromatog.-mass spectrometry (GC-MS) technique. GC-MS anal. revealed the presence of thirty chem. constituents. The four different crude extracts (petroleum ether, chloroform, methanol and water) of leaves of Filicium decipiens have been tested with a diuretic activity using the Lipschitz method. The methanolic extract exhibits diuretic activity.

This compound(11-Bromoundecanoic acid)Computed Properties of C11H21BrO2 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0 ) is researched.Electric Literature of C22H17N3.Uma, Varadarajan; Elango, Munusamy; Nair, Balachandran Unni published the article 《Copper(II) terpyridine complexes: effect of substituent on DNA binding and nuclease activity》 about this compound( cas:89972-77-0 ) in European Journal of Inorganic Chemistry. Keywords: copper terpyridine preparation redox potential ESR spectra; DNA binding nuclease activity copper terpyridine; optimized mol structure DFT calculation toluene imidazole; electrophilicity electron density DFT calculation toluene imidazole. Let’s learn more about this compound (cas:89972-77-0).

Mononuclear copper(II) terpyridine complexes, [Cu(ttpy)Cl]Cl (1) and [Cu(itpy)Cl]Cl (2) (ttpy = tolylterpyridine and itpy = imidazolylterpyridine) were synthesized and characterized. The interaction of the complexes with DNA was studied by electronic and CD spectroscopy, viscosity and gel electrophoresis. Absorption titrations, viscosity and CD experiments reveal an intercalative mode of DNA binding for these complexes. The binding constant values for 1 and 2 are (5.6 ± 0.2) x 104 and (1.4 ± 0.2) x 104 M-1, resp., and suggest moderate binding of these complexes to DNA. From computational studies, the aromatic π cloud is more uniformly distributed in the case of tolylterpyridine (complex 1), which possibly leads to better stacking interactions with the DNA bases and hence a higher binding constant value for complex 1. From the gel electrophoresis experiments, it is inferred that both complex 1 and 2 cleave plasmid DNA in the presence of ascorbic acid and the cleavage efficiency of complex 1 is greater than that of complex 2.

This compound(4-(p-Tolyl)-2,2:6,2-terpyridine)Electric Literature of C22H17N3 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Application of 89972-77-0. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about A new polymorph of 4′-tolyl-2,2′:6′,2”-terpyridine (ttpy) and the single crystal structures of [Fe(ttpy)2][PF6]2 and [Ru(ttpy)2][PF6]2.

Single crystals of a new polymorph of 4′-tolyl-2,2′:6′,2”-terpyridine (ttpy) were grown by evaporation of a hexane-Et acetate solution of the ligand; the packing features weak π-stacking and Npyridine···HC interactions between stacks of ttpy mols. Improved syntheses of [M(ttpy)2][PF6]2 (M = Fe, Ru), and the single crystal structures of [Fe(ttpy)2][PF6]2·2.2MeCN and [Ru(ttpy)2][PF6]2·1.75MeCN·0.2H2O are reported.

This compound(4-(p-Tolyl)-2,2:6,2-terpyridine)Application of 89972-77-0 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Comparative study of the anti-human cytomegalovirus activities and toxicities of a tetrahydrofuran phosphonate analog of guanosine and cidofovir, the main research direction is cytomegalovirus antiviral THF phosphonate guanosine cidofovir; nephrotoxicity antiviral THF phosphonate guanosine analog.Formula: C5H8O3.

Cidofovir is the first nucleoside monophosphate analog currently being used for the treatment of human cytomegalovirus (HCMV) retinitis in individuals with AIDS. Unfortunately, the period of therapy with the use of this compound may be limited due to the possible emergence of serious irreversible nephrotoxic effects. New drugs with improved toxicity profiles are needed. The goal of this study was to investigate the anticytomegaloviral properties and drug-induced toxicity of a novel phosphonate analog, namely, (-)-2-(R)-dihydroxyphosphinoyl-5-(S)-(guanin-9′-yl-methyl) THF (compound 1), in comparison with those of cidofovir. The inhibitory activities of both compounds on HCMV propagation in vitro were similar against the AD 169 and Towne strains, with 50% inhibitory concentrations ranging from 0.02 to 0.17 μg/mL for cidofovir and <0.05 to 0.09 μg/mL for compound 1. A clin. HCMV isolate that was resistant to ganciclovir and that had a known mutation within the UL54 DNA polymerase gene and a cidofovir-resistant laboratory strain derived from strain AD 169 remained sensitive to compound 1, whereas their susceptibilities to ganciclovir and cidofovir were reduced by 33- and 10-fold, resp. Both compound 1 and cidofovir exhibited equal potencies in an exptl. induced murine cytomegalovirus (MCMV) infection in mice, with a prevention or prolongation of mean day to death at dosages of 1.0, 3.2, and 10.0 mg/kg of body weight/day. In cytotoxicity experiments, compound 1 was found to be generally more toxic than cidofovir in cell lines Hs68, HFF, and 3T3-L1 (which are permissive for HCMV or MCMV replication) but less toxic than cidofovir in MRC-5 cells (which are permissive for HCMV replication). Drug-induced toxic side effects were noticed for both compounds in rats and guinea pigs in a 5-day repeated-dose study. In guinea pigs, a greater weight loss was noticed with cidofovir than with compound 1 at dosages of 3.0 and 10.0 mg/kg/day. An opposite effect was detected in rats, which were treated with the compounds at relatively high dosages (up to 100 mg/kg/day). Compound 1 and cidofovir were nephrotoxic in both rats and guinea pigs, with the epithelium lining the proximal convoluted tubules in the renal cortex being the primary target site. The incidence and the severity of the lesions were found to be dose dependent. The lesions observed were characterized by cytoplasm degeneration and nuclear modifications such as karyomegaly, the presence of pseudoinclusions, apoptosis, and degenerative changes. In the guinea pig model, a greater incidence and severity of lesions were observed for cidofovir than for compound 1 (P < 0.001) with a drug regimen of 10 mg/kg/day. This compound((S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one)Formula: C5H8O3 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Circular dichroic studies on marmelo lactones and the related γ-lactones with unsaturation at the C-5 position.Safety of (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one.

The intense CD bands of marmelo lactones and the related γ-lactones with unsaturation at the C-5 position were studied in terms of the possible interactions between the n → π* transition of the carbonyl and the π → π* transition of the double bond at C-5, together with the preferred conformations about the C4-C5 axis. The C4-C5 axis of marmelo lactones takes a preferred conformation which is characteristic for the acyclic allylic alcs. and seems to be an important factor for the (4S)-γ-lactones with a double bond at the C-5 position to give a neg. coupling between the 2-chromophores.

This compound((S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one)Safety of (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Recommanded Product: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Chirality transfer in an Ireland-Claisen rearrangement: a new approach toward the Iboga alkaloids. Author is Hoeck, Stefan; Koch, Florian; Borschberg, Hans-Juerg.

The synthesis of the isoquinuclidine core of the Iboga alkaloid family is described. This building block contains the entire stereochem. information of the targeted natural products. Starting with (S)-4-(hydroxymethyl)-4-butanolide, a derivative available in two steps from l-glutamate, (S)-4-benzyloxy-5,5-dimethoxypentanoic acid was obtained in four steps. Mitsunobu esterification with (S)-but-3-en-2-ol furnished the inverted ester I, which was then subjected to an Ireland-Claisen rearrangement. This crucial step took place with a very satisfactory chirality transfer from the alc. component to the new carbon backbone of the product II. After transformation of the resulting silyl ester function into a hydroxylamino group, the di-Me acetal moiety was hydrolyzed with 3 M sulfuric acid at 47 °C. Under these conditions, the resulting cyclic nitrone could not be isolated, because it underwent a rapid intramol. nitrone-olefin [3+2]-cycloaddition reaction to furnish the expected tricyclic isoxazolidine derivative III in 67% yield. After chromatog. purification, this product was obtained enantiomerically pure and with a chem. purity of 96%. The targeted isoquinuclidine building block III was thus obtained from (S)-4-(hydroxymethyl)-4-butanolide in 13 steps with an overall yield of 9.2%, which amounts to an average yield of 83.3% per step.

This compound((S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one)Recommanded Product: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0 ) is researched.HPLC of Formula: 89972-77-0.Zhou, Xiao-Ping; Ni, Wen-Xiu; Zhan, Shun-Ze; Ni, Jia; Li, Dan; Yin, Ye-Gao published the article 《From Encapsulation to Polypseudorotaxane: Unusual Anion Networks Driven by Predesigned Metal Bis(terpyridine) Complex Cations》 about this compound( cas:89972-77-0 ) in Inorganic Chemistry. Keywords: transition metal terpyridine copper cyano thiocyanato polymeric complex preparation; crystal structure transition metal terpyridine copper cyano thiocyanato polymeric; pseudorotaxane transition metal terpyridine copper cyano thiocyanato polymeric. Let’s learn more about this compound (cas:89972-77-0).

Solvothermal reactions of CuSCN, metal (Mn2+, Fe2+, Co2+, Ni2+, Cu2+) sulfate, and terpyridine (tpy) (2,2′:6′,2”-terpyridine or 4′-p-tolyl-2,2′:6′,2”-terpyridine) in the presence of PPh3 yielded hybrid coordination compounds [Cu6(CN)6(SCN)2·M(tpy)2]m and [Cu6(CN)8·M(tpy)2]m, in which in situ formed metal bis(terpyridine) complex cations are encapsulated by a 3-dimensional anionic network or entangled by 2-dimensional heart-like networks, forming encapsulation or polypseudorotaxane supramols. The complex cations play a role as template to direct the fabrication of the structures.

This compound(4-(p-Tolyl)-2,2:6,2-terpyridine)HPLC of Formula: 89972-77-0 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Goleva, Tatyana N.; Lyamzaev, Konstantin G.; Rogov, Anton G.; Khailova, Ljudmila S.; Epremyan, Khoren K.; Shumakovich, Galina P.; Domnina, Lidia V.; Ivanova, Olga Yu.; Marmiy, Natalia V.; Zinevich, Tatiana V.; Esipov, Dmitry S.; Zvyagilskaya, Renata A.; Skulachev, Vladimir P.; Chernyak, Boris V. published an article about the compound: 11-Bromoundecanoic acid( cas:2834-05-1,SMILESS:O=C(O)CCCCCCCCCCBr ).Product Details of 2834-05-1. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:2834-05-1) through the article.

An increase in the production of reactive oxygen species (ROS) in mitochondria due to targeted delivery of redox active compounds may be useful in studies of modulation of cell functions by mitochondrial ROS. Recently, the mitochondria-targeted derivative of menadione (MitoK3) was synthesized. However, MitoK3 did not induce mitochondrial ROS production and lipid peroxidation while exerting significant cytotoxic action. Here we synthesized 1,4-naphthoquinone conjugated with alkyltriphenylphosphonium (SkQN) as a prototype of mitochondria-targeted prooxidant, and its redox properties, interactions with isolated mitochondria, yeast cells and various human cell lines were investigated. According to electrochem. measurements, SkQN was more active redox agent and, due to the absence of Me group in the naphthoquinone ring, more reactive as electrophile than MitoK3. SkQN (but not MitoK3) stimulated hydrogen peroxide production in isolated mitochondria. At low concentrations, SkQN stimulated state 4 respiration in mitochondria, decreased membrane potential, and blocked ATP synthesis, being more efficient uncoupler of oxidative phosphorylation than MitoK3. In yeast cells, SkQN decreased cell viability and induced oxidative stress and mitochondrial fragmentation. SkQN killed various tumor cells much more efficiently than MitoK3. Since many tumors are characterized by increased oxidative stress, the use of new mitochondria-targeted prooxidants may be a promising strategy for anticancer therapy.

This compound(11-Bromoundecanoic acid)Product Details of 2834-05-1 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Computed Properties of C10H14N2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Cell-membrane coated iron oxide nanoparticles for isolation and specific identification of drug leads from complex matrices. Author is Sherwood, Jennifer; Sowell, Josiah; Beyer, Nicholas; Irvin, Jessica; Stephen, Cayman; Antone, Angelo J.; Bao, Yuping; Ciesla, Lukasz M..

The lack of suitable tools for the identification of potential drug leads from complex matrixes is a bottleneck in drug discovery. Here, we report a novel method to screen complex matrixes for new drug leads targeting transmembrane receptors. Using α3β4 nicotinic receptors as a model system, we successfully demonstrated the ability of this new tool for the specific identification and effective extraction of binding compounds from complex mixtures The formation of cell-membrane coated nanoparticles was confirmed by transmission electron microscopy. In particular, we have developed a direct tool to evaluate the presence of functional α3β4 nicotinic receptors on the cell membrane. The specific ligand binding to α3β4 nicotinic receptors was examined through ligand fishing experiments and confirmed by high-performance liquid chromatog. coupled with diode-array detection and electrospray ionization mass spectrometry. This tool has a great potential to transform the drug discovery process focusing on identification of compounds targeting transmembrane proteins, as more than 50% of all modern pharmaceuticals use membrane proteins as prime targets.

This compound((S)-3-(Piperidin-2-yl)pyridine)Computed Properties of C10H14N2 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 2834-05-1, is researched, SMILESS is O=C(O)CCCCCCCCCCBr, Molecular C11H21BrO2Journal, Article, Angewandte Chemie, International Edition called Fabrication of Gradient and Patterned Organic Thin Films by Bipolar Electrolytic Micelle Disruption Using Redox-Active Surfactants, Author is Zhou, Yaqian; Shida, Naoki; Tomita, Ikuyoshi; Inagi, Shinsuke, the main research direction is organic thin film electrolytic micelle disruption fabrication; bipolar electrochemistry; gradient and patterned films; micelle disruption; organic films.Application In Synthesis of 11-Bromoundecanoic acid.

Bipolar electrochem. could be regarded as a powerful approach for selective surface modification due to the beneficial feature that a wirelessly controllable potential distribution on bipolar electrodes (BPEs). Herein we report a bipolar electrolytic micelle disruption (BEMD) system for the preparation of shaped organic films. A U-shaped bipolar electrolytic system with a sigmoidal potential gradient on the BPE gave gradient-thin films including various interesting organic compounds, such as a polymerizable monomer, an organic pigment and aggregation induced emission (AIE) mols. The gradient feature was characterized by UV-Vis absorption, thickness measurements and surface morphol. anal. Corresponding patterned films were also fabricated using a cylindrical bipolar electrolytic setup that enables site-selective application of the potential on the BPE. Such a facile BEMD approach will open a long-term perspective with respect to organic film preparation

This compound(11-Bromoundecanoic acid)Application In Synthesis of 11-Bromoundecanoic acid was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI