Tag: M.W=100-150

Beak, Peter; Covington, Johnny B.; Smith, Stanley G.; White, J. Matthew; Zeigler, John M. published the artcile< Displacement of protomeric equilibriums by self-association: hydroxypyridine-pyridone and mercaptopyridine-thiopyridone isomer pairs>, COA of Formula: C5H4ClNO, the main research area is tautomerism pyridinol pyridinethiol association; solvent effect association pyridinol.

Self-association and protomeric equilibrium constants are reported for 2-hydroxypyridine-2-pyridone, 4-hydroxypyridine-4-pyridone and 2-mercaptopyridine-2-thiopyridone isomer pairs in different solvents. These results provide quant. evidence for significant differences in the positions of protomeric equilibrium for self-associated and monomeric species. The 2-substituted isomers are associated as well-known dimers while the 4-substituted systems form oligomers. In polar and H-bonding solvents self-association is substantially reduced. Sterically hindered 2- and 4-pyridones are less associated than unhindered systems. These results imply that determinations and interpretations of protomeric equilibrium should take into account the possible dominance of self-association

Journal of Organic Chemistry published new progress about Self-association. 73018-09-4 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, COA of Formula: C5H4ClNO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Jin, Songyang; Geng, Xinxin; Li, Yujun; Zheng, Ke published the artcile< Phosphoric Acid Mediated Light-Induced Minisci C-H Alkylation of N-Heteroarenes>, Recommanded Product: 3-(Methoxycarbonyl)pyridine, the main research area is green phosphate catalyst Minisci alkylation heteroarene redox active ester.

Herein, we report an environmentally-friendly light-induced Minisci alkylation of N-heteroarenes with a broad substrate scope using di-Ph phosphate as catalyst under metal- and photocatalyst-free conditions. The radical precursor redox-active esters (RAEs) were introduced as alkylating reagents for the functionalization of N-heteroarene derivatives including pyridine, quinoline, and isoquinoline. Mechanistic studies suggested that di-Ph phosphate played a key role via hydrogen bonding in the catalytic cycle.

European Journal of Organic Chemistry published new progress about Alkylation (Minisci). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Recommanded Product: 3-(Methoxycarbonyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chitti, Surendar; Pulya, Sravani; Nandikolla, Adinarayana; Patel, Tarun Kumar; Banoth, Karan Kumar; Murugesan, Sankaranarayanan; Ghosh, Balaram; Chandra Sekhar Kondapalli, Venkata Gowri published the artcile< Design, synthesis and structure-activity relationship studies of novel spirochromanone hydrochloride analogs as anticancer agents>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is aminomethylphenyl spirochromanepiperidineone preparation anticancer mol docking SAR cytotoxicity; anticancer; apoptosis; cytotoxicity; molecular docking; spiro-[chromane-2,4′-piperidine]-4-one.

The authors designed and synthesized 18 spirochromanone derivs I [R = isopropylamino, cyclopentylamino, 4-methoxycyclohexylamino etc.]. The compounds I were characterized and evaluated for anticancer activity against human breast cancer (MCF-7) and murine melanoma (B16F10) cell lines. The anticancer activity ranged from 4.34 to 29.31 μm. The most potent compounds, I [R = dimethylamino, benzylamino] were less toxic against the human embryonic kidney (HEK-293) cell line and ∼ two/∼fourfold selective toward MCF-7 than B16F10 in comparison to the reference, BG-45. Compound , I [R = benzylamino] caused 28.6% total apoptosis, leading to significant cytotoxicity, and arrested the G2 phase of the cell cycle in B16F10 cells. A mol. docking study of compound , I [R = benzylamino] exhibited effective binding at the active site of the epidermal growth factor receptor kinase domain. This study highlights the importance of spirochromanones as anticancer agents.

Future Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Ze-Kun; Lin, Jia-Le; Zhang, Yun-Chang; Yang, Chen-Wu; Zhao, Ya-Kun; Leng, Zheng-Wei; Wang, Hui; Zhang, Dan-Wei; Zhu, Jiang; Li, Zhan-Ting published the artcile< Synthesis and short DNA in situ loading and delivery of 4 nm-aperture flexible organic frameworks>, Related Products of 55279-29-3, the main research area is flexible organic framework short DNA loading delivery synthesis.

Five water-soluble flexible organic frameworks have been synthesized from a pyridinium-derived tetracationic tetraaldehyde and five diacylhydrazines (1 : 2) through the quant. formation of a hydrazone bond in water at ambient temperature Dynamic light scattering experiments reveal that the homogeneous frameworks display hydrodynamic diameters ranging from 68 nm to 167 nm, which can be tuned by changing the concentration of the components. Mol. modeling shows that, when adopting an ideal, extended conformation, the frameworks form an aperture of 4 nm diameter The new flexible frameworks are generally of low cytotoxicity. Fluorescence imaging and flow cytometric anal. demonstrate that the new flexible porous frameworks can quickly include single and double stranded DNA of 21 nucleotides and deliver the included DNA into both normal and cancer cells, with the percentage of delivered cells reaching up to 99.5%.

Materials Chemistry Frontiers published new progress about Bioconcentration. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, Related Products of 55279-29-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dong, Guoqiang; Chen, Wei; Wang, Xia; Yang, Xinglin; Xu, Tianying; Wang, Pei; Zhang, Wannian; Rao, Yu; Miao, Chaoyu; Sheng, Chunquan published the artcile< Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism and Epigenetics: Discovery of Novel Nicotinamide Phosphoribosyltransferase (NAMPT) and Histone Deacetylase (HDAC) Dual Inhibitors>, Synthetic Route of 56622-54-9, the main research area is preparation NAMPT HDAC dual inhibitor cancer; antitumor preparation nicotinamide phosphoribosyltransferase histone deacetylase inhibitor.

Cancer metabolism and epigenetics are among the most intensely pursued research areas in anticancer drug discovery. Here we report the first small mols. that simultaneously inhibit nicotinamide phosphoribosyltransferase (NAMPT)and histone deacetylase (HDAC), two important targets of cancer metabolism and epigenetics, resp. Through iterative structure-based drug design, chem. synthesis, and biol. assays, a highly potent dual NAMPT and HDAC inhibitor was successfully identified. Compound 35 possessed excellent and balanced activities against both NAMPT (IC50 = 31 nM) and HDAC1 (IC50 = 55 nM). It could effectively induce cell apoptosis and autophagy and ultimately led to cell death. Importantly, compound 35 showed excellent in vivo antitumor efficacy in the HCT116 xenograft model. This proof-of-concept study demonstrates the feasibility of discovering an inhibitor targeting cancer metabolism and epigenetics and provides an efficient strategy for multitarget antitumor drug discovery.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Synthetic Route of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Saeidikhoo, Sara; Ezi, Samira; Khatmi, Aysan; Aghajanpour, Fakhroddin; Soltani, Reza; Abdollahifar, Mohammad Amin; Jahanian, Ali; Aliaghaei, Abbas published the artcile< Effect of Sertoli Cell Transplantation on Reducing Neuroinflammation-Induced Necroptosis and Improving Motor Coordination in the Rat Model of Cerebellar Ataxia Induced by 3-Acetylpyridine>, Quality Control of 350-03-8, the main research area is acetylpyridine antiinflammatory agent neuroinflammation cerebellar ataxia; Cell transplantation; Cerebellar ataxia; Neurodegeneration; Sertoli cells.

To date, no certain cure has been found for patients with degenerative cerebellar disease. In this trial, we examined the in vivo and in vitro neuroprotective effects of Sertoli cells (SCs) on alleviating the symptoms of cerebellar ataxia. Testicular cells from an immature male rat were isolated and characterized by immunocytochem. anal. for somatic cell markers (anti-Mullerian hormone, vimentin). The protein assessment had already confirmed the expression of neurotrophic factors of glial cell line-derived neurotrophic factor (GDNF) and vascular endothelial factor (VEGF). In vitro neuroprotective impact of SCs was determined after exposing PC12 cells to Sertoli cell-conditioned media (SC-CM) and H2O2, simultaneously. Afterwards, ataxia rat models were induced by a single dose of 3-AP (3-acetylpyridin), and 3 days later, SCs were bilaterally implanted. Motor and neuromuscular activity test were conducted following SC transplantation. Finally, immunohistochem. against RIPK3 and Iba-1 was done in our generation. The in vivo results revealed substantial improvement in neuromuscular response, while ataxia group exhibited aggravated condition over a 28-day period. Our results suggested enhanced motor function and behavioral characteristics due to the ability of SCs to suppress necroptosis and consequently extend cell survival. Nevertheless, more studies are required to affirm the therapeutic impacts of SC transplantation in human cerebellar ataxia. In vitro data indicated cell viability was increased as a result of SC-CM with a significant reduction in ROS.

Journal of Molecular Neuroscience published new progress about Cell morphology. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Quality Control of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Demonti, Luca; Saffon-Merceron, Nathalie; Mezailles, Nicolas; Nebra, Noel published the artcile< Cross-Coupling through Ag(I)/Ag(III) Redox Manifold>, HPLC of Formula: 3796-23-4, the main research area is silver trifluoromethyl tervalent argentate preparation reductive elimination arylboronate; trifluoromethyl arene preparation coupling arylboronate trifluoromethylargentate reductive elimination; crystal mol optimized electronic structure tervalent trifluoromethyl argentate complex; AgIII chemistry; cross-coupling; fluorine; high-valent species; trifluoromethylation.

Trifluoromethyl argentates(III) undergo reductive elimination with arylboronic acids, yielding trifluoromethylarenes. In ample variety of transformations, the presence of silver as an additive or co-catalyst is believed to be innocuous for the efficiency of the operating metal catalyst. Even though Ag additives are required often as coupling partners, oxidants or halide scavengers, its role as a catalytically competent species is widely neglected in cross-coupling reactions. Most likely, this is due to the erroneously assumed incapacity of Ag to undergo 2e- redox steps. Definite proof is herein provided for the required elementary steps to accomplish the oxidative trifluoromethylation of arenes through AgI/AgIII redox catalysis (i. e. CEL coupling), namely: (i) easy AgI/AgIII 2e- oxidation mediated by air; (ii) bpy/phen ligation to AgIII; (iii) boron-to-AgIII aryl transfer; and (iv) ulterior reductive elimination of benzotrifluorides from an [aryl-AgIII-CF3] fragment. More precisely, an ultimate entry and full characterization of organosilver(III) compounds [K]+[AgIII(CF3)4]- (K-1), [(bpy)AgIII(CF3)3] (2) and [(phen)AgIII(CF3)3] (3), is described. The utility of 3 in cross-coupling has been showcased unambiguously, and a large variety of arylboron compounds was trifluoromethylated via [AgIII(aryl)(CF3)3]- intermediates. This work breaks with old stereotypes and misconceptions regarding the inability of Ag to undergo cross-coupling by itself.

Chemistry – A European Journal published new progress about Boronic acids, esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (arylboronates). 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, HPLC of Formula: 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lv, Kang; Jiang, Yuanye; Han, Lingli; Liu, Tao; Bi, Siwei published the artcile< Theoretical study on the base-controlled selective linear or branched ortho-alkylation of azines catalyzed by rhodium: Mechanisms and the role of base>, Application In Synthesis of 3796-23-4, the main research area is azine rhodium catalyst regioselective alkylation mechanism transition state structure.

The detailed theor. study on the mechanism of the alkylation of 3-trifluoromethylpyridine with acrylamide in the [RhI]/dppe catalytic system is reported, with the aid of the d. functional theory (DFT) calculations It is found that the additive bases play a critical role in switching the regioselectivity. The origin of the regioselectivity involved in these reactions was probed by performing distortion-interaction anal. For reaction A with KOPiv as the base, the outer-sphere concerted-metalative-deprotonation (CMD) pathway is calculated to be a bit more favorable kinetically compared with the oxidative addition (OA) one and the two mechanisms are competitive. The regioselectivity in this reaction is predicted to be determined by the distortion energies of the migratory insertion transition states. In contrast, for reaction B with K3PO4 as the base, the feasible pathway is the OA one, and the corresponding interaction energies for the olefin migratory insertion into Rh-H bond step could account for the observed regioselectivity.

Molecular Catalysis published new progress about Alkylation catalysts. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Application In Synthesis of 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ungwitayatorn, Jiraporn; Wiwat, Chanpen; Matayatsuk, Chutima; Pimthon, Jutarat; Piyaviriyakul, Suratsawadee published the artcile< Synthesis and HIV-1 reverse transcriptase inhibitory activity of non-nucleoside phthalimide derivatives>, Quality Control of 56622-54-9, the main research area is phthalimide nonnucleoside derivative preparation HIV1 reverse transcriptase inhibitory activity.

A new type of non-nucleoside HIV-1 reverse transcriptase inhibitor in the phthalimide series has been synthesized from either the reaction of N-carboethoxyphthalimide with amines or phthalimide with appropriate alkyl halides. The in vitro inhibitory activity of the synthesized compounds was studied by a radiometric assay at a concentration of 200 μg/mL using poly(rA)•oligo(dT) as a template-primer and methyl-[3H]dTTP as a substrate. The three most potent compounds, I-III, exhibited IC50 values of 60.90, 98.10 and 120.75 μg/mL, resp., lower than the IC50 of delavirdine (502.22 μg/mL, using poly(rA)•oligo(dT) as a template-primer and [3H]dTTP as a substrate).

Chinese Journal of Chemistry published new progress about Cyclic imides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Quality Control of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Au-Yeung, Ka-Chun; Xiao, Dengmengfei; Shih, Wei-Chih; Yang, Hsiu-Wen; Wen, Yuh-Sheng; Yap, Glenn P. A.; Chen, Wen-Ching; Zhao, Lili; Ong, Tiow-Gan published the artcile< Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner>, Synthetic Route of 3796-23-4, the main research area is palladium acetate cyclometalation reaction carbodicarbene; carbene palladium trinuclear dinuclear heterobinuclear complex preparation crystal structure; crystal structure trinuclear carbene palladium heterobinuclear gold nickel complex; mol structure trinuclear carbene palladium heterobinuclear gold nickel complex; gold nickel heterobinuclear carbene complex preparation crystal structure; carbodicarbene; carbone; double dative bond; metal-metal interaction; palladium.

The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramol. C(sp3)-H bond activation at one of the CDC Me side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two Pd centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd-Pd, Pd-Au, and Ni-Au provides further structural evidence for this proof-of-concept in selective installation. Structural anal. is supported by computational calculations based on state-of-the-art energy decomposition anal. (EDA) in conjunction with natural orbitals for chem. valence (NOCV) method.

Chemistry – A European Journal published new progress about C-H bond activation. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Synthetic Route of 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem