Month: December 2022

Recyclable CNT-chitosan nanohybrid film utilized in copper-catalyzed aerobic ipso-hydroxylation of arylboronic acids in aqueous media was written by Kim, Han-Sem;Joo, Sung-Ryu;Shin, Ueon Sang;Kim, Seung-Hoi. And the article was included in Tetrahedron Letters in 2018.Synthetic Route of C6H7NO2 This article mentions the following:

A convenient heterogeneous catalytic system consisting of recyclable and reusable carbon nanotube-chitosan nanohybrid film and copper salt was developed for the aerobic ipso-hydroxylation of arylboronic acids. A variety of arylboronic acids bearing electron-withdrawing or electron-donating groups were smoothly transformed at room temperature in water to afford the corresponding phenols in high yields. In the experiment, the researchers used many compounds, for example, 5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0Synthetic Route of C6H7NO2).

5-Hydroxy-2-methoxylpyridine (cas: 51834-97-0) 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.Synthetic Route of C6H7NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Physicochemical properties and surface tension prediction of mixed surfactant systems: Triton X-100 with dodecylpyridinium bromide and Triton X-100 with sodium dodecylsulfonate was written by Song, Shi-Li;Hu, Zhi-Guo;Wang, Quan-kun;Cheng, Gang;Liu, Xin-Hua. And the article was included in Journal of Dispersion Science and Technology in 2008.Synthetic Route of C17H30BrN This article mentions the following:

Dependences of the surface tension of aqueous solutions of ionic (dodecylpyridinium bromide, sodium dodecylsulfonate) and nonionic (Triton X-100) surfactants and their mixtures on total surfactant concentration and solution composition were studied, and the surface tension of the mixed systems were predicted using different Miller’s model. It was found how to select the model for calculation of ω is corresponding to the degree of the deviation from the ideality during the adsorption of mixed surfactants. The compositions of micelles and adsorption layers at air-solution interface as well as parameters (βm, βads) of headgroup-headgroup interaction between the mols. of ionic and nonionic surfactants were calculated based on Rubingh model. The parameters (B1) of chain-chain interaction between the mols. of ionic and nonionic surfactants were calculated based on Maeda model. The free energy of micellization calculated from the phase separation model (ΔG2m), and by Maeda’s method (ΔG1m) agree reasonably well at high content of nonionic surfactant. The excess free energy ΔGadsE and ΔGmE (except α = 0.4) for TX-100/SDSn system are more neg. than that TX-100/DDPB system. These can be probably explained with the EO groups of TX-100 surfactant carrying partial pos. charge. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Synthetic Route of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) belongs to pyridine derivatives. The pyridine ring occurs in many important compounds, including agrochemicals, pharmaceuticals, and vitamins. Pyridine derivatives are also useful as small-molecule α-helix mimetics that inhibit protein-protein interactions, as well as functionally selective GABA ligands.Synthetic Route of C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Substituent Effects in Double-Helical Hydrogen-Bonded AAA-DDD Complexes was written by Wang, Hong-Bo;Mudraboyina, Bhanu P.;Wisner, James A.. And the article was included in Chemistry – A European Journal in 2012.Product Details of 3718-65-8 This article mentions the following:

Two series of DDD and AAA hydrogen-bond arrays were synthesized that form triply-hydrogen-bonded double-helical complexes when combined in CDCl₃ solution Derivatization of the DDD arrays with electron-withdrawing groups increases the complex association constants by up to a factor of 30 in those arrays examined Derivatization of the AAA arrays with electron donating substituents reveals a similar magnitude effect on the complex stabilities. The effect of substitution on both types of arrays are modeled quite satisfactorily (R² > 0.96 in all cases) as free energy relationships with respect to the sums of their Hammett substituent constants In all, the complex stabilities can be manipulated over more than three orders of magnitude (>20 kJ mol^-1) using this type of modification. In the experiment, the researchers used many compounds, for example, 3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8Product Details of 3718-65-8).

3,5-Dimethylpyridine 1-oxide (cas: 3718-65-8) 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. Product Details of 3718-65-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Structure-activity relationships of novel non-competitive mGluR1 antagonists: A potential treatment for chronic pain was written by Owen, Dafydd R.;Dodd, Peter G.;Gayton, Simon;Greener, Ben S.;Harbottle, Gareth W.;Mantell, Simon J.;Maw, Graham N.;Osborne, Simon A.;Rees, Huw;Ringer, Tracy J.;Rodriguez-Lens, Margarita;Smith, Graham F.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2007.Product Details of 199296-39-4 This article mentions the following:

A series of novel mGluR1 antagonists have been prepared Incorporation of fragments derived from weak lead matter into a library led to enhanced potency in a new chem. series. A chem. driven second library iteration, covering a greatly enhanced area of chem. space, maintained good potency and introduced metabolic stability. Compound I may represent a useful lead in the ongoing search for mGluR1 antagonists for nociceptive pain. In the experiment, the researchers used many compounds, for example, 2-Methyl-2-(pyridin-2-yl)propan-1-amine (cas: 199296-39-4Product Details of 199296-39-4).

2-Methyl-2-(pyridin-2-yl)propan-1-amine (cas: 199296-39-4) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. Pyridine groups exist in countless molecules, and their applications include catalysis, drug design, molecular recognition, and natural product synthesis.Product Details of 199296-39-4

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Design and Synthesis of Quinazolinone-Triazole Hybrids as Potent Anti-Tubercular Agents was written by Dutta, Apurba;Trivedi, Priyanka;Gehlot, Praveen Singh;Gogoi, Dipshikha;Hazarika, Roktopol;Chetia, Pankaj;Kumar, Arvind;Chaliha, Amrita Kashyap;Chaturvedi, Vinita;Sarma, Diganta. And the article was included in ACS Applied Bio Materials in 2022.Computed Properties of C17H30BrN This article mentions the following:

A straightforward and convenient methodol. had been developed for the reaction of 2-aminobenzamide and carbonyls affording 2,3-dihydroquinazolin-4(1H)-ones I [R¹ = Ph, 4-BrC₆H₄, 2-thienyl, etc.; R² = H; R¹R² = (CH₂)₄, (CH₂)₅, (CH₂)₆] using aqueous solution of [C₁₂Py][FeCl₃Br]. The developed methodol. was applied for the synthesis of quinazolinone-triazole hybrids II [R³ = H, MeO; R⁴ = 4-FC₆H₄, 2-OHC₆H₄, 4-ClC₆H₄, etc.] and III [R⁵ = 4-FC₆H₄, 2-OHC₆H₄, 4-CH₃SC₆H₄,4-CHF₂OC₆H₄, 3,4-di-FC₆H₃] followed by evaluation of their in vitro anti-TB activity. The results revealed that quinazolinone-triazole hybrids displayed promising activity having MIC values 0.78-12.5μg/mL. The compound II [R³ = H, R⁴ = 2,4-di-FC₆H₃] with MIC 0.78μg/mL was found to be the lead nominee among the series, better than Ethambutol, a first line anti-TB drug and comparable with Rifampicin. The active compounds with MIC values ≤ 6.25μg/mL were subjected to in vitro cytotoxicity and found nontoxic. In drug-drug interaction, compounds II [R³ = H, R⁴ = 4-FC₆H₄, 3,4-di-FC₆H₃] interacted synergistically with all the three anti-TB drugs, INH, RFM and EMB. Important information on the binding interaction of the target compounds with the active sites of 1DQY Antigen 85C from Mycobacterium tuberculosis and Enoyl acyl carrier protein reductase (InhA) enzymes were obtained from mol. docking studies. Screening of the drug-likeness properties and bioactivity score indicated that synthesized mols. could be projected as potential drug candidates. Based on the current study, quinazolinone-triazole hybrids framework could be useful in drug development for tuberculosis. In the experiment, the researchers used many compounds, for example, 1-Dodecylpyridin-1-ium bromide (cas: 104-73-4Computed Properties of C17H30BrN).

1-Dodecylpyridin-1-ium bromide (cas: 104-73-4) 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). 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 C17H30BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the Fe^II(Pytacn) Family of Complexes was written by Prat, Irene;Company, Anna;Corona, Teresa;Parella, Teodor;Ribas, Xavi;Costas, Miquel. And the article was included in Inorganic Chemistry in 2013.Related Products of 315180-16-6 This article mentions the following:

A family of iron complexes [Fe^II(^R,R’Pytacn)(X)₂]ⁿ⁺ is described, where ^R,R’Pytacn is the tetradentate ligand 1-[(4-R’-6-R-2-pyridyl)methyl]-4,7-dimethyl-1,4,7-triazacyclononane, where R refers to the group at the α-position of the pyridine, R’ corresponds to the group at the γ-position, and X denotes MeCN or CF₃SO₃. Herein, the authors study the influence of the pyridine substituents R and R’ on the electronic properties of the coordinated Fe center by a combination of structural and spectroscopic characterization using x-ray diffraction, ¹H NMR and UV-visible spectroscopies, and magnetic susceptibility measurements. The electronic properties of the substituent in the γ-position of the pyridine ring (R’) modulate the strength of the ligand field, as shown by magnetic susceptibility measurements in CD₃CN solution, which provide a direct indication of the population of the magnetically active high-spin S = 2 ferrous state. Indeed, complexes [Fe^II(^H,R‘Pytacn)(CD₃CN)₂]²⁺ exist as mixtures of high-spin (S = 2) and low-spin (S = 0) complexes, and their effective magnetic moment directly correlates with the electron-releasing ability of R’. However, the substitution of the H atom in the α-position of the pyridine by a Me, Cl, or F group favors the high-spin state. The whole family of complexes was assayed in catalytic C-H and C=C oxidation reactions with H₂O₂. These catalysts exhibit excellent efficiency in the stereospecific hydroxylation of alkanes and in the oxidation of olefins. Remarkably, R’-substituents have little influence on the efficiency and chemoselectivity of the catalytic activity of the complexes, but the selectivity toward olefin cis-dihydroxylation is enhanced for complexes with R = Me, F, or Cl. Isotopic labeling studies in the epoxidation and cis-dihydroxylation reactions show that R has a definitive role in dictating the origin of the O atom that is transferred in the epoxidation reaction. In the experiment, the researchers used many compounds, for example, 2-(Chloromethyl)-6-fluoropyridine (cas: 315180-16-6Related Products of 315180-16-6).

2-(Chloromethyl)-6-fluoropyridine (cas: 315180-16-6) 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, 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. Related Products of 315180-16-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Importance of Hydrogen Bonding: Structure-Activity Relationships of Ruthenium(III) Complexes with Pyridine-Based Ligands for Alzheimer’s Disease Therapy was written by Wall, Brendan J.;Will, Mark F.;Yawson, Gideon K.;Bothwell, Paige J.;Platt, David C.;Apuzzo, C. Fiore;Jones, Marjorie A.;Ferrence, Gregory M.;Webb, Michael I.. And the article was included in Journal of Medicinal Chemistry in 2021.Electric Literature of C5H5NO This article mentions the following:

Alzheimer’s disease (AD) is the most common form of dementia, where one of the pathol. hallmarks of AD is extracellular protein deposits, the primary component of which is the peptide amyloid-β (Aβ). Recently, the soluble form of Aβ has been recognized as the primary neurotoxic species, making it an important target for therapeutic development. Metal-based drugs are promising candidates to target Aβ, as the interactions with the peptide can be tuned by ligand design. In the current study, 11 ruthenium complexes containing pyridine-based ligands were prepared, where the functional groups at the para position on the coordinated pyridine ligand were varied to determine structure-activity relationships. Overall, the complexes with terminal primary amines had the greatest impact on modulating the aggregation of Aβ and diminishing its cytotoxicity. These results identify the importance of specific intermol. interactions and are critical in the advancement of metal-based drugs for AD therapy. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Electric Literature of C5H5NO).

Pyridin-4-ol (cas: 626-64-2) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Electric Literature of C5H5NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Vinylogous carbinolamine tumor inhibitors. 24. Synthesis, chemistry, and antineoplastic activity of α-halopyridinium salts: potential pyridone prodrugs of acylated vinylogous carbinolamine tumor inhibitors. was written by Anderson, Wayne K.;Dean, Dennis C.;Endo, Toshiyasu. And the article was included in Journal of Medicinal Chemistry in 1990.HPLC of Formula: 89978-52-9 This article mentions the following:

A series of 4- and 5-[dihydrobis[[(alkylcarbamoyl)oxy]methyl]pyrrolizinyl]-2-halopyridinium iodides, e.g., I (R = F, Cl), were synthesized. The rates of hydrolysis of the α-halopyridinium salts to the corresponding pyridones and the reactivities of the carbamate moieties were studied as a function of pH, buffer composition, and ionic strength. The 4- and 5-pyrrolizinyl-2-halopyridinium iodides and the corresponding pyridones were evaluated against P388 lymphocytic leukemia in vivo. The α-fluoropyridinium compounds were active but the α-chloro compounds were not. This activity was correlated with the rates of hydrolysis of the α-halopyridinium compounds to the active pyridone. In the experiment, the researchers used many compounds, for example, Ethyl 2-bromoisonicotinate (cas: 89978-52-9HPLC of Formula: 89978-52-9).

Ethyl 2-bromoisonicotinate (cas: 89978-52-9) belongs to pyridine derivatives. The ring atoms in the pyridine molecule are sp2-hybridized. The nitrogen is involved in the π-bonding aromatic system using its unhybridized p orbital. The lone pair is in an sp2 orbital, projecting outward from the ring in the same plane as the σ bonds. 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. HPLC of Formula: 89978-52-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rh(III)-Catalyzed C-H Bond Addition/Amine-Mediated Cyclization of Bis-Michael Acceptors was written by Potter, Tyler J.;Ellman, Jonathan A.. And the article was included in Organic Letters in 2016.SDS of cas: 4373-61-9 This article mentions the following:

A Rh(III)-catalyzed C-H bond addition/primary amine-promoted cyclization of bis-Michael acceptors is reported. The C-H bond addition step occurs with high chemoselectivity, and the subsequent intramol. Michael addition, mediated by a primary amine catalyst, sets three contiguous stereocenters with high diastereoselectivity. A broad range of directing groups and both aromatic and alkenyl C-H bonds were shown to be effective in this transformation, affording functionalized piperidines, tetrahydropyrans, and cyclohexanes. In the experiment, the researchers used many compounds, for example, 2-(m-Tolyl)pyridine (cas: 4373-61-9SDS of cas: 4373-61-9).

2-(m-Tolyl)pyridine (cas: 4373-61-9) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.SDS of cas: 4373-61-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Discovery of Biaryl Amides as Potent, Orally Bioavailable, and CNS Penetrant RORγt Inhibitors was written by Wang, Yonghui;Cai, Wei;Cheng, Yaobang;Yang, Ting;Liu, Qian;Zhang, Guifeng;Meng, Qinghua;Han, Fangbin;Huang, Yafei;Zhou, Ling;Xiang, Zhijun;Zhao, Yong-Gang;Xu, Yan;Cheng, Ziqiang;Lu, Sijie;Wu, Qianqian;Xiang, Jia-Ning;Elliott, John D.;Leung, Stewart;Ren, Feng;Lin, Xichen. And the article was included in ACS Medicinal Chemistry Letters in 2015.Recommanded Product: 175205-82-0 This article mentions the following:

A novel series of biaryl amides was identified as RORγt inhibitors through core replacement of a starting hit 1. Structure-activity relation exploration on the biaryl moiety led to discovery of potent RORγt inhibitors with good oral bioavailability and CNS penetration. Compounds 9a and 9g demonstrated excellent in vivo efficacy in EAE mice dose dependently with once daily oral administration. In the experiment, the researchers used many compounds, for example, 2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0Recommanded Product: 175205-82-0).

2-Bromo-3-(trifluoromethyl)pyridine (cas: 175205-82-0) 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. Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Recommanded Product: 175205-82-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem