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Related Products of 3724-19-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. Author is Chenge, Jude T.; Van Duyet, Le; Swami, Shalini; McLean, Kirsty J.; Kavanagh, Madeline E.; Coyne, Anthony G.; Rigby, Stephen E. J.; Cheesman, Myles R.; Girvan, Hazel M.; Levy, Colin W.; Rupp, Bernd; von Kries, Jens P.; Abell, Chris; Leys, David; Munro, Andrew W..

The Mycobacterium tuberculosis H37Rv genome encodes 20 cytochromes P 450, including P450s crucial to infection and bacterial viability. Many M. tuberculosis P450s remain uncharacterized, suggesting that their further anal. may provide new insights into M. tuberculosis metabolic processes and new targets for drug discovery. CYP126A1 is representative of a P 450 family widely distributed in mycobacteria and other bacteria. Here we explore the biochem. and structural properties of CYP126A1, including its interactions with new chem. ligands. A survey of azole antifungal drugs showed that CYP126A1 is inhibited strongly by azoles containing an imidazole ring but not by those tested containing a triazole ring. To further explore the mol. preferences of CYP126A1 and search for probes of enzyme function, we conducted a high throughput screen. Compounds containing three or more ring structures dominated the screening hits, including nitroarom. compounds that induce substrate-like shifts in the heme spectrum of CYP126A1. Spectroelectrochem. measurements revealed a 155-mV increase in heme iron potential when bound to one of the newly identified nitroarom. drugs. CYP126A1 dimers were observed in crystal structures of ligand-free CYP126A1 and for CYP126A1 bound to compounds discovered in the screen. However, ketoconazole binds in an orientation that disrupts the BC-loop regions at the P 450 dimer interface and results in a CYP126A1 monomeric crystal form. Structural data also reveal that nitroarom. ligands “”moonlight”” as substrates by displacing the CYP126A1 distal water but inhibit enzyme activity. The relatively polar active site of CYP126A1 distinguishes it from its most closely related sterol-binding P450s in M. tuberculosis, suggesting that further investigations will reveal its diverse substrate selectivity.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Isoquinoline compounds. IV. Synthesis of 1-[2-(3-pyridyl) ethyl] -6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline》. Authors are Livshits, R. S.; Evstigneeva, R. P.; Bainova, M. S.; Preobrazhenskii, N. A..The article about the compound:3-Pyridinepropionic acidcas:3724-19-4,SMILESS:OC(=O)CCC1=CC=CN=C1).Related Products of 3724-19-4. Through the article, more information about this compound (cas:3724-19-4) is conveyed.

Conventional esterification gave 80% Me nicotinate, b7 89-90°, m. 38°, which with N2H4.H2O gave 98-9% hydrazide, m. 158-9°; this with BzCl at 0° gave 96.5% N-Bz derivative, m. 185-6°, which, heated in (CH2OH)2 with Na2CO3 2 min. to 160° yielded 28-30% nicotinaldehyde, b12 85-90°, condensed with CH2(CO2H)2 to 3-pyridineacrylic acid, m. 232-3° (from EtOH). This (8 g.),40 ml. AcOH, 80 ml. HI (d. 1.71), and 3 g. red P refluxed 14-15 hrs. gave 90% 3-pyridinepropionic acid-HI, m. 163-4°, yielding with Na2HPO4 the free acid, m. 157-8° (from EtOH) [Et ester (75.7% with EtOH-HCl), b7 129-30°, nD20 1.4983, d2020 1.071; HCl salt, m. 95-6°; picrate, m. 81-2°]. The Et ester (3 g.) and 3 g. 3,4-(MeO)2C6H3CH2CH2NH2 heated with a few drops of pyridine 3 hrs. at 180° gave 80.7% N-(3,4-dimethoxyphenethyl)-3-pyridinepropionamide m. 103°, which heated with POCl3 2.5 hrs. at 100° yielded 85% 1-[2-(3-pyridyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline, m. 88-9° (from petr. ether); HCl salt, m. 198-200° (from EtOH). The free base (1 g.), 30 ml. H2O, 4 g. Zn dust, and 0.1 g. CuSO4 treated with 3 ml. concentrated H2SO4 and gently heated 1 hr., then heated more strongly 2 hrs., gave 70% 1-[2-(3-pyridyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, an oil; HCl salt, m. 241-3° (from EtOH).

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Safety of 3-Pyridinepropionic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Protease-catalyzed resolutions using the 3-(3-pyridine)propionyl anchor group: p-toluenesulfonamide. Author is Savile, Christopher K.; Kazlauskas, Romas J..

The procedure for resolution of N-3-(3-pyridine)propionyl-p-tolylsulfinamide is presented. The 3-(3-pyridine)propionyl group mimics phenylalanine and increases substrate binding and solubility in water, thereby increasing the rates of protease-catalyzed reactions. In addition, the 3-(3-pyridine)propionyl group eliminates chromatog., since mild acid extraction separates the remaining starting material and product. To demonstrate the synthetic usefulness of this strategy, multi-gram quantities of (R)- and (S)-p-toluenesulfinamide with α-chymotrypsin were resolved.

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Application of 3724-19-4. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Syntheses of 11C- and 18F-labeled carboxylic esters within a hydrodynamically-driven micro-reactor. Author is Lu, Shui-Yu; Watts, Paul; Chin, Frederick T.; Hong, Jinsoo; Musachio, John L.; Briard, Emmanuelle; Pike, Victor W..

Carboxylic esters were successfully labeled with one of two short-lived positron-emitters, carbon-11 or fluorine-18, within a hydrodynamically-driven micro-reactor. Non-radioactive Me 3-pyridinepropanoate (I) was obtained at room temperature; its yield increased with higher substrate concentration and with reduced infusion rate. Radioactive I was obtained from the acid (10 mM) and 11CH3I in 56% decay-corrected radiochem. yield (RCY) at an infusion rate of 10 μL min-1, and when the infusion rate was reduced to 1 μL min-1, the RCY increased to 88%. The synthesis of the non-radioactive 2-fluoroethyl ester required heating of the micro-reactor on a heating block at 80 °C (14-17% RCY), while the radioactive ester was obtained in 10% RCY. Radioactive 2-PhOC6H4NAcCH2C6H4CO2Me was obtained from the acid and 11CH3I in 45% RCY at an infusion rate of 10 μL min-1. When the infusion rate was reduced to 1 μL min-1, the RCY increased to 65%. The results exemplify a new methodol. for producing radiotracers for imaging with positron emission tomog. that has many potential advantages, including a requirement for small quantities of substrates, enhanced reaction, rapid reaction optimization and easy product purification

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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, Inorganica Chimica Acta called Synthesis, structure and luminescence study of two cadmium(II) coordination polymers with hetero donor ligands: Expansion of network dimensionality from 2D to 3D through hydrogen bonding, Author is Dalai, Sudipta; Chowdhuri, Durga Sankar; Bera, Madhusudan; Rana, Abhinandan; Guidolin, Nicol; Zangrando, Ennio, which mentions a compound: 3724-19-4, SMILESS is OC(=O)CCC1=CC=CN=C1, Molecular C8H9NO2, Synthetic Route of C8H9NO2.

Two coordination polymers of cadmium [Cd(pyp)2(H2O)2]n (1) and {[Cd2(pyzca)3(atr)(H2O)]·H2O}n (2) [pypH = 3-pyridinepropionic acid, pyzcaH = 2-pyrazinecarboxylic acid and atrH = 5-aminotetrazole] were synthesized and structurally characterized by x-ray single crystal diffraction anal. Both complexes display 2-dimensional structures that extend into a 3-dimensional network by hydrogen bonding. The crystal packing of both complexes is reinforced by π-π interactions between adjacent aromatic rings. The fluorescence study indicates intraligand π-π* charge transfer, which is the reason for emission in both the complexes.

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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.Martin, David P.; Springsteen, Caleb H.; LaDuca, Robert L. researched the compound: 3-Pyridinepropionic acid( cas:3724-19-4 ).Related Products of 3724-19-4.They published the article 《Hydrothermal synthesis, structural determination, and thermal properties of 2-D cobalt- and nickel-based coordination polymers incorporating pendant-arm 3-pyridinecarboxylate ligands》 about this compound( cas:3724-19-4 ) in Inorganica Chimica Acta. Keywords: transition metal pyridylcarboxylate preparation structure hydrogen bond; crystal structure cobalt nickel pyridylcarboxylate polymeric. We’ll tell you more about this compound (cas:3724-19-4).

Hydrothermal synthesis has afforded a family of four coordination polymers containing divalent Ni or Co and pendant-arm pyridylcarboxylate ligands. Using 3-pyridylacetic acid and appropriate metal precursors produced [M(3-pyrac)2(H2O)2] phases (M = Co (1); M = Ni (2)), while 3-pyridylpropionic acid generated [M(3-pyrprop)2(H2O)2] coordination polymers (M = Co (3); M = Ni (4)). Single crystal x-ray diffraction revealed that 1-4 all display discrete 2-dimensional layers with (4,4)-topol., anchored via bridging 3-pyridylcarboxylate ligands bearing monodentate carboxylate termini. Intralamellar H bonding between the aquo ligands and unligated carboxylate O atoms is observed within 1-4. The pseudo 3-dimensional structures of 1-4 are further assembled via stacking of individual neutral layers by interlayer H bonding. Thermal properties are also discussed.

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Collman, James P.; Chien, Allis S.; Eberspacher, Todd A.; Zhong, Min; Brauman, John I. published the article 《Competitive Reaction of Axial Ligands during Biomimetic Oxygenations》. Keywords: pyridine axial ligand oxidation metalloporphyrin biomimetic oxygenation; oxidation catalyst iron porphyrin pyridine tail; biomimetic oxygenation competitive oxidation axial ligand.They researched the compound: 3-Pyridinepropionic acid( cas:3724-19-4 ).Computed Properties of C8H9NO2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:3724-19-4) here.

Nitrogenous bases have commonly been employed as axial ligands for metalloporphyrins in biomimetic model compounds and catalytic oxygenation chem. The addition of bases such as pyridines or imidazoles to metalloporphyrin-catalyzed hydrocarbon oxidation reactions is known to affect catalyst selectivity and turnover rate; this effect was correlated with the electron-donor ability of the ligand. The role of pyridine in these reactions is far more involved than that of a simple axial ligand: pyridine is a competitive substrate and is converted in high yield to the N-oxide. Subsequently, both of these species act as ligands to the metal center. Thus, catalytic systems containing oxidizable pyridines involve complex equilibrium with multiple forms of ligated catalyst, and kinetic results should be interpreted with caution. Alternatives to free pyridine were tested, including a pyridine tail which is covalently attached to the porphyrin.

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Quality Control of 3-Pyridinepropionic acid. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Thermoresponsive organometallic arene ruthenium complexes for tumour targeting. Author is Clavel, Catherine M.; Paunescu, Emilia; Nowak-Sliwinska, Patrycja; Dyson, Paul J..

Application of mild hyperthermia can increase the cytotoxicity of anticancer drugs in tumor cells. In this report, we describe low mol. weight thermoactive ruthenium-based drugs with fluorous chains that are selectively triggered by mild hyperthermia. The organometallic complexes were prepared, characterized, and evaluated for their in vitro cytotoxicity against a panel of human cancer cell lines and non-cancerous immortalized cells. The compounds show considerable chemo-thermal selectivity towards cancer cells (ca. 5 μM vs. >500 μM for healthy cells) for the compound with the longest fluorous chain.

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Application In Synthesis of 3-Pyridinepropionic acid. 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: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Photoinduced decarboxylative borylation of carboxylic acids. Author is Fawcett, Alexander; Pradeilles, Johan; Wang, Yahui; Mutsuga, Tatsuya; Myers, Eddie L.; Aggarwal, Varinder K..

The conversion of widely available carboxylic acids into versatile boronic esters would be highly enabling for synthesis. Authors found that this transformation can be effected by illuminating the N-hydroxyphthalimide ester derivative of the carboxylic acid under visible light at room temperature in the presence of the diboron reagent bis(catecholato)diboron. A simple workup allows isolation of the pinacol boronic ester. Exptl. evidence suggests that boryl radical intermediates are involved in the process. The methodol. is illustrated by the transformation of primary, secondary, and tertiary alkyl carboxylic acids as well as a diverse range of natural-product carboxylic acids, thereby demonstrating its broad utility and functional group tolerance.

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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, Tetrahedron called Synthesis, crystal structures and the preliminary evaluation of the new dibenzotetraaza[14]annulene-based DNA/RNA binding agents, Author is Pawlica, Dariusz; Radic Stojkovic, Marijana; Sieron, Leslaw; Piantanida, Ivo; Eilmes, Julita, which mentions a compound: 3724-19-4, SMILESS is OC(=O)CCC1=CC=CN=C1, Molecular C8H9NO2, Recommanded Product: 3724-19-4.

A series of water-soluble dicationic dibenzotetraaza[14]annulenes have been prepared in order to examine their interactions with nucleic acids. Pendant water-solubilizing N-pyridinium, 4,4′-bipyridinium and N-methylpyridinium moieties have been attached to the central core via linkers generated by direct N-alkylations and ester creating couplings, resp. The crystal structures of derivatives equipped with 3-(N-pyridinium-1-yl)propyl and 3-(4,4′-bipyridinium-1-yl)propyl substituents have been determined Interactions with ct-DNA have been studied and evidenced by means of spectrophotometric titrations with Scatchard anal. and thermal denaturation experiments

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