Month: December 2022

Rational design of a fluorescent poly(N-aryleneindole ether sulfone) switch by cation-π interactions was written by Chang, Guanjun;Yang, Li;Liu, Shenye;Lin, Runxiong;You, Jingsong. And the article was included in Polymer Chemistry in 2015.Related Products of 628-13-7 This article mentions the following:

Semirigid poly(N-aryleneindole ether sulfone) (PESIN) as a fluorescence emission on-off switch has been successfully achieved via the cation-π interactions. The adjustment of the protonation/deprotonation status of pyridine that regulates the formation of cation-π interactions is definitely the determinant. In the experiment, the researchers used many compounds, for example, Pyridinehydrochloride (cas: 628-13-7Related Products of 628-13-7).

Pyridinehydrochloride (cas: 628-13-7) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.Related Products of 628-13-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Complexation of 2,6-Bis(acylamino)pyridines with Dipyridin-2-ylamine and 4,4-Dimethylpiperidine-2,6-dione was written by Osmialowski, Borys;Kolehmainen, Erkki;Gawinecki, Ryszard;Dobosz, Robert;Kauppinen, Reijo. And the article was included in Journal of Physical Chemistry A in 2010.Recommanded Product: 1075-62-3 This article mentions the following:

Intermol. hydrogen bonds between 2,6-bis(acylamino)pyridines and dipyridin-2-ylamine as well as 4,4-dimethylpiperidine-2,6-dione are responsible for relatively strong interactions between these species. Association has been found to be significantly affected by the size of acyl substituent (chem. shift of the NH proton was used as the main probe in determination of the association constants). Calculations at the DFT level of theory are in line with the exptl. observed results. Calculated energies of the interactions between the complex congeners also show the size of the substituent to affect the association Conformational changes in the dipyridin-2-ylamine mol. are shown to adapt a geometry suitable for formation of efficient hydrogen bonding. In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3Recommanded Product: 1075-62-3).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.Recommanded Product: 1075-62-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors was written by Ahmadi, S.;Lotfi, S.;Afshari, S.;Kumar, P.;Ghasemi, E.. And the article was included in SAR and QSAR in Environmental Research in 2021.Application In Synthesis of 5-Phenylpyridin-2-ol This article mentions the following:

Global QSAR modeling was performed to predict the pIC₅₀ values of 233 diverse heterocyclic compounds as BTK inhibitors with the Monte Carlo algorithm of CORAL software using the DCW hybrid descriptors extracted from SMILES notations of mols. The dataset of 233 BTK inhibitors was randomly split into training, invisible training, calibration and validation sets. The index of ideality of correlation was also applied to build and judge the predictability of the QSAR models. Eight global QSAR models based on the hybrid optimal descriptor using two target functions, i.e.TF₁ (WIIC = 0) and TF₂ (WIIC = 0.2) have been constructed. The statistical parameters of QSAR models computed by TF2 are more reliable and robust and were used to predict the pIC₅₀ values. The model constructed for split 4 via TF₂ is regarded as the best model and the numerical values of r²Train, r²Valid, Q²Train and Q²Valid are equal to 0.7981, 0.7429, 0.7898 and 0.6784, resp. By internal and external validation techniques, the predictability and reliability of the designed models have been assessed. The structural attributes responsible for the increase and decrease of pIC₅₀ of BTK inhibitors were also identified. In the experiment, the researchers used many compounds, for example, 5-Phenylpyridin-2-ol (cas: 76053-45-7Application In Synthesis of 5-Phenylpyridin-2-ol).

5-Phenylpyridin-2-ol (cas: 76053-45-7) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Application In Synthesis of 5-Phenylpyridin-2-ol

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Development of Small Molecules with a Noncanonical Binding Mode to HIV-1 Trans Activation Response (TAR) RNA was written by Abulwerdi, Fardokht A.;Shortridge, Matthew D.;Sztuba-Solinska, Joanna;Wilson, Robert;Le Grice, Stuart F. J.;Varani, Gabriele;Schneekloth, John S.. And the article was included in Journal of Medicinal Chemistry in 2016.COA of Formula: C7H5ClN2 This article mentions the following:

Small mols. that bind to RNA potently and specifically are relatively rare. The study of mols. that bind to the HIV-1 transactivation response (TAR) hairpin, a cis-acting HIV genomic element, has long been an important model system for the chem. of targeting RNA. Here the authors report the synthesis, biochem. and structural evaluation of a series of mols. that bind to HIV-1 TAR RNA. A promising analog, 6-methyl-2-(5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine (compound 15), retained the TAR binding affinity of the initial hit and displaced a Tat-derived peptide with an IC₅₀ of 40 μM. NMR characterization of a soluble analog, 3-amino-6-methyl-N-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide (compound 2), revealed a non-canonical binding mode for this class of compounds Finally, evaluation of 2 and 15 by Selective 2′-hydroxyl acylation analyzed by primer extension (SHAPE) indicates specificity in binding to TAR within the context of an in vitro-synthesized 365-nt HIV-1 5′- untranslated region (UTR). Thus, these compounds exhibit a novel and specific mode of interaction with TAR, providing important implications for RNA ligand design. In the experiment, the researchers used many compounds, for example, 2-Chloro-4-methylpyridine-3-carbonitrile (cas: 65169-38-2COA of Formula: C7H5ClN2).

2-Chloro-4-methylpyridine-3-carbonitrile (cas: 65169-38-2) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Several pyridine derivatives play important roles in biological systems. While its biosynthesis is not fully understood, nicotinic acid (vitamin B3) occurs in some bacteria, fungi, and mammals.COA of Formula: C7H5ClN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of Nitrile Bearing Acyclic Quaternary Centers through Co(III)-Catalyzed Sequential C-H Bond Addition to Dienes and N-Cyanosuccinimide was written by Dongbang, Sun;Ellman, Jonathan A.. And the article was included in Angewandte Chemie, International Edition in 2021.Related Products of 4373-61-9 This article mentions the following:

Herein we disclose a three-component strategy to access quaternary centers bearing nitriles by cobalt-catalyzed C-H bond activation and sequential addition to internally substituted 1,3-dienes and an electrophilic cyanating reagent with high regio and stereocontrol [e.g., 1-(3-methylphenyl)-1H-pyrazole + isoprene + N-cyanosuccinimide → I (76%)]. 2-Aryl and alkyl monosubstituted dienes provide α-aryl and α-alkyl α-methyl-substituted nitriles, resp. An even wider variety of functionality can be installed at the quaternary carbon by using 1,2-disubstituted dienes. The synthetic utility of the nitrile products was successfully demonstrated by various transformations, including conversions to γ-lactones and tetrazoles. The observed connectivity in the products along with studies with deuterium labeled reactants provide insight into the mechanism. Formation of a 7-membered cobaltacycle by C-H activation and migratory insertion of the diene is followed by β-hydride elimination and hydride reinsertion to give a 6-membered cobaltacycle that then reacts with the cyanating agent. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Related Products of 4373-61-9).

2-(m-Tolyl)pyridine (cas: 4373-61-9) belongs to pyridine derivatives. In contrast to benzene, Pyridine’s electron density is not evenly distributed over the ring, reflecting the negative inductive effect of the nitrogen atom. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Related Products of 4373-61-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis of Cyclometalated Gold(III) Complexes via Catalytic Rhodium to Gold(III) Transmetalation was written by Martin, Jaime;Gomez-Bengoa, Enrique;Genoux, Alexandre;Nevado, Cristina. And the article was included in Angewandte Chemie, International Edition in 2022.Name: 2-(m-Tolyl)pyridine This article mentions the following:

A catalytic method to synthesize a broad array of cyclometalated (C-N)gold(III) [(ArPy)AuCl₂] (1–20; Ar = substituted Ph, thienyl; Py = substituted 2-pyridyl, isoquinolinyl, pyrazolinyl, thiazolinyl; ArPy = benzo[h]quinoline) complexes is reported here. An unprecedented Rh-to-Au^III transmetalation allows the facile transfer of (C-N) ligands between these two metals in a redox-neutral process. The reaction employs com. available precursors and proceeds under mild and environmentally benign conditions. Both exptl. and computational studies support a multistep transmetalation from rhodium to gold as the underlying mechanism for these transformations. This process involves first, a rate-determining transfer of the C ligand followed by the subsequent incorporation of the N donor to form the monocyclometalated (C-N)gold(III) species. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9Name: 2-(m-Tolyl)pyridine).

2-(m-Tolyl)pyridine (cas: 4373-61-9) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Name: 2-(m-Tolyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation was written by Wagener, Tobias;Heusler, Arne;Nairoukh, Zackaria;Bergander, Klaus;Daniliuc, Constantin G.;Glorius, Frank. And the article was included in ACS Catalysis in 2020.Safety of 3-Fluoro-4-methylpyridine This article mentions the following:

Fluorinated piperidines are desirable motifs for pharmaceutical and agrochem. research. Nevertheless, general synthetic access remains out of reach. Herein, we describe a simple and robust cis-selective hydrogenation of abundant and cheap fluoropyridines to yield a broad scope of (multi)fluorinated piperidines. This protocol enables the chemoselective reduction of fluoropyridines while tolerating other (hetero)aromatic systems using a com. available heterogeneous catalyst. Fluorinated derivatives of important drug compounds are prepared, and a straightforward strategy for the synthesis of enantioenriched fluorinated piperidines is disclosed. In the experiment, the researchers used many compounds, for example, 3-Fluoro-4-methylpyridine (cas: 399-88-2Safety of 3-Fluoro-4-methylpyridine).

3-Fluoro-4-methylpyridine (cas: 399-88-2) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Safety of 3-Fluoro-4-methylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility was written by Rzasa, Robert M.;Frohn, Michael J.;Andrews, Kristin L.;Chmait, Samer;Chen, Ning;Clarine, Jeffrey G.;Davis, Carl;Eastwood, Heather A.;Horne, Daniel B.;Hu, Essa;Jones, Adrie D.;Kaller, Matthew R.;Kunz, Roxanne K.;Miller, Silke;Monenschein, Holger;Nguyen, Thomas;Pickrell, Alexander J.;Porter, Amy;Reichelt, Andreas;Zhao, Xiaoning;Treanor, James J. S.;Allen, Jennifer R.. And the article was included in Bioorganic & Medicinal Chemistry in 2014.COA of Formula: C5H3BrFN This article mentions the following:

We report the discovery of a novel series of 2-(3-alkoxy-1-azetidinyl) quinolines as potent and selective PDE10A inhibitors. Structure-activity studies improved the solubility (pH 7.4) and maintained high PDE10A activity compared to initial lead compound 3, with select compounds demonstrating good oral bioavailability. X-ray crystallog. studies revealed two distinct binding modes to the catalytic site of the PDE10A enzyme. An ex vivo receptor occupancy assay in rats demonstrated that this series of compounds covered the target within the striatum. In the experiment, the researchers used many compounds, for example, 3-Bromo-4-fluoropyridine (cas: 116922-60-2COA of Formula: C5H3BrFN).

3-Bromo-4-fluoropyridine (cas: 116922-60-2) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. COA of Formula: C5H3BrFN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Redox-Modulated Recognition of Flavin by Functionalized Gold Nanoparticles was written by Boal, Andrew K.;Rotello, Vincent M.. And the article was included in Journal of the American Chemical Society in 1999.Category: pyridine-derivatives This article mentions the following:

A colloidal system where surface functionality can be varied through non-covalent host-guest complexation has been demonstrated. The extent of this surface modification is electrochem. controlled, providing a prototypical platform for the generation and electrochem. control of multifunctional self-assembled monolayers (SAMs). In the experiment, the researchers used many compounds, for example, N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3Category: pyridine-derivatives).

N-(6-Aminopyridin-2-yl)acetamide (cas: 1075-62-3) belongs to pyridine derivatives. Pyridine’s the lone pair does not contribute to the aromatic system but importantly influences the chemical properties of pyridine, as it easily supports bond formation via an electrophilic attack. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Iridium-Catalyzed Regioselective C(sp³)-H Silylation of 4-Alkylpyridines at the Benzylic Position with Hydrosilanes Leading to 4-(1-Silylalkyl)pyridines was written by Fukumoto, Yoshiya;Hirano, Masaya;Chatani, Naoto. And the article was included in ACS Catalysis in 2017.Computed Properties of C11H17N This article mentions the following:

The regioselective silylation of C(sp³)-H bonds at the benzylic position in 4-alkylpyridines with hydrosilanes is described. The reaction proceeds in the presence of a catalytic amount of Ir₄(CO)₁₂ or Ir(acac)(CO)₂, which possess CO as a ligand, or [Ir(OMe)(cod)]₂ under 1 atm of CO. After optimizing the reaction conditions, by using other pyridine derivatives, such as 3,5-dimethylpyridine, as additives, the low product yields of 2-substituted 4-methylpyridines were improved markedly. In the experiment, the researchers used many compounds, for example, 4-Hexylpyridine (cas: 27876-24-0Computed Properties of C11H17N).

4-Hexylpyridine (cas: 27876-24-0) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Computed Properties of C11H17N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem