Tag: M.W:100-200

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Journal of Chemical Ecology called Chemical Responses of Nicotiana tabacum (Solanaceae) Induced by Vibrational Signals of a Generalist Herbivore, Author is Pinto, Carlos F.; Torrico-Bazoberry, D.; Penna, M.; Cossio-Rodriguez, R.; Cocroft, R.; Appel, H.; Niemeyer, H. M., which mentions a compound: 494-52-0, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2, Electric Literature of C10H14N2.

Plants are able to sense their environment and respond appropriately to different stimuli. Vibrational signals (VS) are one of the most widespread yet understudied ways of communication between organisms. Recent research into the perception of VS by plants showed that they are ecol. meaningful signals involved in different interactions of plants with biotic and abiotic agents. We studied changes in the concentration of alkaloids in tobacco plants induced by VS produced by Phthorimaea operculella (Lepidoptera: Gelechiidae), a generalist caterpillar that naturally feeds on the plant. We measured the concentration of nicotine, nornicotine, anabasine and anatabine in four treatments applied to 11-wk old tobacco plant: a) Co = undamaged plants, b) Eq = Playback equipment attached to the plant without VS, c) Ca = Plants attacked by P. operculella herbivory and d) Pl = playback of VS of P. operculella feeding on tobacco. We found that nicotine, the most abundant alkaloid, increased more than 2.6 times in the Ca and Pl treatments as compared with the Co and Eq treatments, which were similar between them. Nornicotine, anabasine and anatabine were mutually correlated and showed similar concentration patterns, being higher in the Eq treatment. Results are discussed in terms of the adaptive significance of plant responses to ecol. important VS stimuli.

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

Computed Properties of C10H14N2. 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: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Determination of anabasine, anatabine, and nicotine biomarkers in wastewater by enhanced direct injection LC-MS/MS and evaluation of their in-sewer stability.

Wastewater-based epidemiol. (WBE) has been used to estimate tobacco use in the population. This study aims to develop a rapid method for determining the tobacco-specific biomarkers, anabasine and anatabine, in wastewater and to evaluate their in-sewer stability for better estimation of tobacco use by WBE. An enhanced direct injection LC-MS/MS was developed to quantify anabasine and anatabine as well as nicotine biomarkers (nicotine, cotinine and hydroxycotinine). The method was optimal when wastewater was filtered through 0.2μm RC syringe filters and a pre-conditioned SPE cartridge (Oasis HLB 1 cc, 30 mg) before 50μL was injected into the LC-MS/MS system. Limits of quantification varied between 2.7 and 54.9 ng/L with recoveries from 76% to 103% for all five compounds In sewer reactors, anabasine and anatabine were less stable than cotinine and hydroxycotinine. They were more stable in the gravity sewer reactor with <20% loss in 12 h than in the rising main sewer reactor with ~30% loss in the same period. We then applied the new method to 42 daily wastewater influent samples collected from an Australian wastewater treatment plant. The five biomarkers were detected in all samples with concentrations ranging from 9.2 to 7430 ng/L. All five compounds were pos. correlated with one another. Our results suggested a high throughput anal. method for feasible application in anabasine and anatabine as biomarkers of tobacco use in routine wastewater monitoring. When you point to this article, it is believed that you are also very interested in this compound(494-52-0)Computed Properties of C10H14N2 and due to space limitations, I can only present the most important information.

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Metal catalyst and ligand design,
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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: 494-52-0, is researched, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2Journal, Russian Journal of General Chemistry called Synthesis, Structure, and Biological Activity of Cinnamoyl-Containing Cytisine and Anabasine Alkaloids Derivatives, Author is Nurkenov, O. A.; Nurmaganbetov, Zh. S.; Seilkhanov, T. M.; Fazylov, S. D.; Satpayeva, Zh. B.; Turdybekov, K. M.; Talipov, S. A.; Seydakhmetova, R. B., the main research direction is cytisine cinnamoyl derivative preparation antibacterial antifungal cytotoxic activity; anabasine cinnamoyl derivative preparation antibacterial antifungal activity cytotoxic.Application In Synthesis of (S)-3-(Piperidin-2-yl)pyridine.

The reactions of the cytisine and anabasine alkaloids with cinnamic acid chloride have been studied, and hydrazinolysis of the resulting N-cinnamoylcytisine and N-cinnamoylanabazine has been carried out. The reaction of cinnamoyl isothiocyanate with alkaloids has afforded the corresponding thiourea derivatives Antimicrobial and cytotoxic activity of cinnamoyl-containing derivatives of these alkaloids has been evaluated.

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Metal catalyst and ligand design,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Comprehensive genome-wide identification, characterization, and expression profiling of MATE gene family in Nicotiana tabacum, the main research direction is Nicotiana MATE transporter family expression profiling; Co-expression; Gene expression; MATE transporters; Nicotiana tabacum.Computed Properties of C10H14N2.

The transporters belonging to the MATE family are involved in the transportation of diverse ligands, including metal ions and small organic mols., and, therefore, play an important role in plant biol. Our genome-wide anal. led to the identification of 138 MATE genes in N. tabacum, which were grouped into four major phylogenetic clades. The expression of several NtMATE genes was reported to be differential in different tissues, namely young leaf, mature leaf, stem, root, and mature flower. The upstream regions of the NtMATE genes were predicted to contain several cis-acting elements associated with hormonal, developmental, and stress responses. Some of the genes were found to display induced expression following Me jasmonate treatment. The co-expression anal. revealed 126 candidate transcription factor genes that might be involved in the transcriptional regulation of 21 NtMATE genes. Certain MATE genes (NtMATE81, NtMATE82, NtMATE88, and NtMATE89) were predicted to be targeted by micro RNAs (nta-miR167a, nta-miR167b, nta-miR167c, nta-miR167d and nta-miR167e). The computational anal. of MATE transporters provided insights into the key amino acid residues involved in the binding of the alkaloids. Further, the putative function of some of the NtMATE transporters was also revealed. The present study develops a solid foundation for the functional characterization of MATE transporter genes in N. tabacum.

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Metal catalyst and ligand design,
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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 Allergenic α-methylene-γ-butyrolactones. Stereospecific synthesis of (+)- and (-)-γ-methyl-α-methylene-γ-butyrolactones. A study of the specificity of (+) and (-) enantiomers in inducing allergic contact dermatitis, the main research direction is butyrolactone methyl methylene enantiomer; stereoselectivity allergenic butyrolactone; dermatitis allergenic butyrolactone.SDS of cas: 32780-06-6.

Allergenic enantiomeric butyrolactones I (X = α-H, β-Me; α-Me, β-H) were stereoselectively prepared from the corresponding (R)-(-)- and (S)-(+)-glutamic acids and the specificity of the enantiomers in producing allergenic contact dermatitis in sensitized guinea pigs was determined

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Metal catalyst and ligand design,
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Synthetic Route 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 Challenges associated with quantification of selected urinary biomarkers of exposure to tobacco products. Author is Habibagahi, Arezoo; Siddique, Shabana; Harris, Shelley A.; Alderman, Nicholas; Aranda-Rodriguez, Rocio; Farhat, Imen; Chevrier, Jonathan; Kubwabo, Cariton.

Tobacco use, of which cigarette smoking is the most common, is a global health concern and is directly linked to over 7 million premature deaths annually. Measurement of the levels of tobacco-related biomarkers in biol. matrixes reflects human exposure to the chems. in tobacco products. Nicotine, nicotine metabolites, anatabine, and anabasine are specific to tobacco and nicotine containing products. However, as nicotine and its metabolites are ubiquitous in the environment, background contamination during sample preparation can occur, making the quantification of target analytes challenging. The main purpose of the present study was to examine quality control measures needed in the determination of urinary nicotine, nicotine metabolites, anatabine, and anabasine. Urine samples (n = 75) and NIST standard reference materials SRM 3671 and SRM 3672 were analyzed. A one-step extraction procedure using cold acetone was used in this study, which involved no addnl. clean up. The blank matrixes investigated included synthetic urine prepared with HPLC-grade water, synthetic urine prepared with Milli-Q water, and bovine urine. By adopting strategies for minimizing the background levels, very low detection limits for all the target analytes ranging from 0.025 ng/mL for 3-hydroxycotinine to 0.634 ng/mL for nicotine, were achieved. Recoveries ranged between 67% and 118% with RSD values below 20%. Intra-day and inter-day precisions were in the range of 1.1-11.7% and 4.8-25.2%, resp. The levels of all target analytes were higher in daily smokers than in non-smokers, with the largest difference observed for 3-hydroxycotinine. No difference was observed in the levels of target analytes between individuals who were former smokers, who never smoked or who were exposed to environmental tobacco smoke (ETS), except for total nicotine equivalent (TNE), which was significantly higher in non-smokers exposed to environmental tobacco smoke compared with study participants who never smoked. The results obtained from SRM 3671 and SRM 3672 could inform a potential certification of addnl. biomarkers of exposure to tobacco products in those standard reference materials.

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Metal catalyst and ligand design,
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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: 494-52-0, is researched, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2Journal, Article, Journal of Chromatography A called Chiral determination of nornicotine, anatabine and anabasine in tobacco by achiral gas chromatography with (1S)-(-)-camphanic chloride derivatization: Application to enantiomeric profiling of cultivars and curing processes, Author is Cai, Kai; Zhao, Huina; Yin, Runsheng; Lin, Yechun; Lei, Bo; Wang, Anping; Pan, Wenjie; Cai, Bin; Gao, Weichang; Wang, Feng, the main research direction is Chiral determination nornicotine anatabine anabasine tobacco; Alkaloids; Chiral derivatization; Cultivars; Curing processes; Tobacco; Validation.Safety of (S)-3-(Piperidin-2-yl)pyridine.

The alkaloid enantiomers are well-known to have different physiol. and pharmacol. effects, and to play an important role in enantioselectivity metabolism with enzymes catalysis in tobacco plants. Here, we developed an improved method for simultaneous and high-precision determination of the individual enantiomers of nornicotine, anatabine and anabasine in four tobacco matrixes, based on an achiral gas chromatog.-nitrogen phosphorus detector (GC-NPD) with commonly available Rtx-200 column using (1S)-(-)-camphanic chloride derivatization. The method development consists of the optimization of extraction and derivatization, screening of achiral column, anal. of the fragmentation mechanisms and evaluation of matrix effect (ME). Under the optimized exptl. conditions, the current method exhibited excellent detection capability for the alkaloid enantiomers, with coefficients of determination (R2) > 0.9989 and normality test of residuals P > 0.05 in linear regression parameters. The ME can be neglected for the camphanic derivatives The limit of detection (LOD) and limit of quantitation (LOQ) ranged from 0.087 to 0.24μg g – 1 and 0.29 to 0.81μg g – 1, resp. The recoveries and within-laboratory relative standard deviations (RSDR) were 94.3%∼104.2% and 0.51%∼3.89%, resp. The developed method was successfully applied to determine the enantiomeric profiling of cultivars and curing processes. Tobacco cultivars had a significant impact on the nornicotine, anatabine, anabasine concentration and enantiomeric fraction (EF) of (R)-nornicotine, whereas the only significant change induced by the curing processes was an increase in the EF of (R)-anabasine.

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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: 6-(Piperazin-1-yl)nicotinonitrile, is researched, Molecular C10H12N4, CAS is 149554-29-0, about Design, Synthesis, Biological Screening, and Molecular Docking Studies of Piperazine-Derived Constrained Inhibitors of DPP-IV for the Treatment of Type 2 Diabetes, the main research direction is piperazine derivative preparation antidiabetic screening mol docking DPPIV inhibitor; antihyperglycemic; constrained DPP-IV inhibitor; dipeptidyl peptidyl-IV (DPP-IV) inhibitor; molecular docking; oral glucose tolerance test; piperazine.HPLC of Formula: 149554-29-0.

Novel piperazine-derived conformationally constrained compounds were designed, synthesized, and evaluated for in vitro Dipeptidyl peptidase-IV (DPP-IV) inhibitory activities. From a library of compounds synthesized, 1-(2-(4-(7-Chloro-4-quinolyl)piperazin-1-yl)acetyl)pyrrolidine (2g) was identified as a potential DPP-IV inhibitor exhibiting better inhibitory activity than P32/98, reference inhibitor. The in vivo studies carried out in STZ and db/db mice models indicated that the compound 2g showed moderate antihyperglycemic activity as compared to the marketed drug Sitagliptin. A two-week repeated dose study in db/db mice revealed that compound 2g significantly declined blood glucose levels with no evidence of hypoglycemia risk. Furthermore, it showed improvement in insulin resistance reversal and antidyslipidemic properties. Mol. docking studies established good binding affinity of compound 2g at the DPP-IV active site and are in favor of the observed biol. data. These data collectively suggest that compound 2g is a good lead mol. for further optimization studies.

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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: 494-52-0, is researched, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2Journal, Article, Food and Chemical Toxicology called Antiparasitic properties of leaf extracts derived from selected Nicotiana species and Nicotiana tabacum varieties, Author is Schorderet Weber, Sandra; Kaminski, Kacper P.; Perret, Jean-Luc; Leroy, Patrice; Mazurov, Anatoly; Peitsch, Manuel C.; Ivanov, Nikolai V.; Hoeng, Julia, the main research direction is Nicotiana Ctenocephalides Lucilia Caenorhabditis Rhipicephalus Ixodes antiparasitic; Parasite; Repellence; Tick; Tickicide; Tobacco alkaloid; Tobacco extract.Formula: C10H14N2.

Within the traditional pharmacopeia, tobacco (Nicotiana spp.) is often cited as an efficient pesticide. This activity is generally attributed to nicotine, but tobacco plants contain other alkaloids that could potentially contribute to this effect. In this study, we tested methanolic extracts of N. glutinosa, N. glauca, N. debneyi, and N. tabacum (putrescine N-methyltransferase line, burley TN90 and Stella, Virginia ITB 683 and K326), selected according to alkaloid content. Their antiparasitic activity was evaluated in bioassays against adult fleas (Ctenocephalides felis), blowfly (Lucilia cuprina) larva, nematodes (Caenorhabditis elegans), and ticks (Rhipicephalus sanguineus larva and adults, Ixodes ricinus nymphs). None of the extracts killed fleas and blowfly larva effectively at the concentrations tested. Only N. tabacum K326 and N. glutinosa exhibited moderate anthelmintic activity. All extracts significantly repelled R. sanguineus ticks, but not I. ricinus, and the nicotine-rich extracts rapidly knocked down all tick species and stages at high concentrations The link between nicotine and tick knockdown was confirmed by successfully testing the pure alkaloid at concentrations found in the tobacco extracts In contrast, repellent activity could not be correlated to the individually tested alkaloids (nicotine, nornicotine, anabasine, anatabine), although anatabine and nornicotine were active in the tick bioassay at high concentrations

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Metal catalyst and ligand design,
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Quality Control of (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one. 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: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Efficient Chirality Transfer in the SmI2-Mediated Cyclization of Aldehydo β-Alkoxyvinyl Sulfoxides: Asymmetric Synthesis of 3-Hydroxyoxanes.

Stereoselective syntheses of 3-hydroxyoxanes were achieved via efficient chirality transfer in the SmI2-mediated cyclization reactions of aldehydo β-alkoxyvinyl sulfoxides. The observed stereoselectivity is discussed in terms of transition state structures for the reactions. RHF, ab initio, d. functional theory, and zero-point energy calculations were done for Ph β-methoxyvinyl sulfoxide configurations to determine global min. structures.

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