Day: October 12, 2022

Howard, Philip H.; Muir, Derek C. G. published the artcile< Identifying New Persistent and Bioaccumulative Organics Among Chemicals in Commerce>, Recommanded Product: 2,3,4,6-Tetrachloropyridine, the main research area is identifying new persistent bioaccumulative organic chem.

This work identified com. chems. which may be persistent and bioaccumulative (P&B) and are not being considered in current Great Lakes, North American, and Arctic pollutant measurement programs. The authors combined the Canadian Domestic Substance List (DSL; a list of 3059 substances of unknown or variable composition complex reaction products and biol. materials) and the USEPA Toxic Substances Control Act Inventory Update Rule database for years 1986, 1990, 1994, 1998, 2002, and 2006, yielding a database of 22,263 com. chems. From that list, 610 chems. were identified by estimates from USEPA EPISuite software and using expert judgment. This work yielded some interesting, probable P&B chems. which should be considered for addnl. study. Recent studies, following initial reports and presentations on this work, confirmed the environmental presence of many of these chems.

Environmental Science & Technology published new progress about Alcohols, C32-36-branched Role: NUU (Other Use, Unclassified), POL (Pollutant), PRP (Properties), USES (Uses), OCCU (Occurrence). 14121-36-9 belongs to class pyridine-derivatives, and the molecular formula is C5HCl4N, Recommanded Product: 2,3,4,6-Tetrachloropyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Shichen; Feng, Lei; Ma, Chen published the artcile< Simple and green synthesis of benzimidazoles and pyrrolo[1,2-a]quinoxalines via Mamedov heterocycle rearrangement>, HPLC of Formula: 21901-29-1, the main research area is benzimidazole pyrroloquinoxaline preparation green chem Mamedov heterocycle rearrangement.

A method for the synthesis of coupling compounds of benzimidazoles and pyrrolo[1,2-a]quinoxalines via Mamedov Heterocycle Rearrangement is reported here. This method was conducted at room temperature and only solvent (HOAc) was required. A series of 4-(1H-benzo[d]imidazol-2-yl)pyrrolo[1,2-a]quinoxaline derivatives were obtained in moderate to good yields.

New Journal of Chemistry published new progress about Benzimidazoles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, HPLC of Formula: 21901-29-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lu, Min; Zhang, Hongjun; Li, Derun; Childers, Matthew; Pu, Qinglin; Palte, Rachel L.; Gathiaka, Symon; Lyons, Thomas W.; Palani, Anandan; Fan, Peter W.; Spacciapoli, Peter; Miller, J. Richard; Cho, Hyelim; Cheng, Mangeng; Chakravarthy, Kalyan; O′Neil, Jennifer; Eangoor, Padmanabhan; Beard, Adam; Kim, Hai-Young; Sauri, Josep; Gunaydin, Hakan; Sloman, David L.; Siliphaivanh, Phieng; Cumming, Jared; Fischer, Christian published the artcile< Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology>, Quality Control of 53636-56-9, the main research area is proline arginase inhibitor oral bioavailability immuno oncol.

Recent data suggest that the inhibition of arginase (ARG) has therapeutic potential for the treatment of a number of indications ranging from pulmonary and vascular disease to cancer. Thus, high demand exists for selective small mol. ARG inhibitors with favorable druglike properties and good oral bioavailability. In light of the significant challenges associated with the unique physicochem. properties of previously disclosed ARG inhibitors, we use structure-based drug design combined with a focused optimization strategy to discover a class of boronic acids featuring a privileged proline scaffold with superior potency and oral bioavailability. These compounds, exemplified by inhibitors 4a, 18, and 27, demonstrated a favorable overall profile, and 4a was well tolerated following multiple days of dosing at concentrations that exceed those required for serum arginase inhibition and concomitant arginine elevation in a syngeneic mouse carcinoma model.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, Quality Control of 53636-56-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Patel, Ashvani Kumar; Rathor, Shikha Singh; Samanta, Sampak published the artcile< Regioselective access to di- and trisubstituted pyridines via a metal-oxidant-solvent-free domino reaction involving 3-chloropropiophenones>, Safety of 1-(Pyridin-3-yl)ethanone, the main research area is heterocyclic pyridine preparation regioselective chemoselective green chem; chloropropiophenone ketone tandem reaction.

A remarkable metal-oxidant-solvent- and base-free domino route for regioselective access to a wide range of 2,4-di- and 2,3,4/6-trisubstituted pyridines, e.g., I including carbo- and heterocyclic fused pyridines is reported. This [3C + 2C + 1N] cyclization reaction occurs between 3-chloropropiophenones RC(O)(CH2)2Cl (R = Ph, 4-iodophenyl, 5-methylthiophen-2-yl, etc.) (3C units), enolizable acyclic/cyclic ketones, e.g., 1,2,3,4-tetrahydronaphthalen-1-one (2C sources) and NH4OAc as a robust N source under neat conditions under an open atm., producing new C=C and C=N-C bonds in highly chemo- and regioselective manners. Interestingly, this eco-friendly method has many pos. features: excellent functional group tolerance, broad substrate scope, good to excellent regioselectivities, promising yields, no-unwanted products, neutral reaction conditions and appropriateness for large-scale synthesis. Mechanism studies reveal that the in situ generated β-amino ketone from 3-chloropropiophenone and an ammonium salt undergoes C=N bond formation with a ketone followed by an intramol. cyclization process (C=C bond), which are the decisive steps for pyridine synthesis.

Organic & Biomolecular Chemistry published new progress about C-C bond formation (cn). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Safety of 1-(Pyridin-3-yl)ethanone.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Blank, Benjamin; DiTullio, Nicholas W.; Miao, Clara K.; Owings, Franklin F.; Gleason, John G.; Ross, Stephen T.; Berkoff, Charles E.; Saunders, Harry L.; Delarge, J.; Lapiere, C. L. published the artcile< Mercaptopyridinecarboxylic acids. Synthesis and hypoglycemic activity>, Application In Synthesis of 53636-56-9, the main research area is hypoglycemia mercaptopyridinecarboxylic acid; picolinic nicotinic mercapto hypoglycemic; gluconeogenesis mercaptopyridinecarboxylate.

More than 50 title compounds, isomers, analogs, and derivatives were prepared and tested for hypoglycemic activity in 48 hr fasted rats. 3-Mercaptopicolinic acid (I) [14623-54-2], and its acetate (II) [39561-87-0] and methyl ester (III) [39561-86-9] gave significant hypoglycemia at a dose of 300 mg/kg, i.p., and were effective at lower doses or administered orally. P-methoxybenzyl mercaptan is described as a novel sulfurating agent to introduce a protected mercapto group. Structure-activity relations and the role of gluconeogenesis in the observed hypoglycemia were discussed.

Journal of Medicinal Chemistry published new progress about Gluconeogenesis. 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, Application In Synthesis of 53636-56-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zheng, Yan-Long; Newman, Stephen G. published the artcile< Methyl Esters as Cross-Coupling Electrophiles: Direct Synthesis of Amide Bonds>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is methyl ester amine nickel catalyzed cross coupling amide preparation.

Amide bond formation and transition metal-catalyzed cross-coupling are two of the most frequently used chem. reactions in organic synthesis. Recently, an overlap between these two reaction families was identified when Pd and Ni catalysts were demonstrated to cleave the strong C-O bond present in esters via oxidative addition When simple Me and Et esters are used, this transformation provides a powerful alternative to classical amide bond formations, which commonly feature stoichiometric activating agents. Thus far, few redox-active catalysts have been demonstrated to activate the C(acyl)-O bond of alkyl esters, which makes it difficult to perform informed screening when a challenging reaction needs optimization. We demonstrate that Ni catalysts bearing diverse NHC, phosphine, and nitrogen-containing ligands can all be used to activate Me esters and enable their use in direct amide bond formation.

ACS Catalysis published new progress about Aliphatic esters 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

Hooda, Anjli; Nehra, Kapeesha; Dalal, Anuj; Bhagwan, Shri; Gupta, Isha; Singh, Devender; Kumar, Sumit published the artcile< Luminescent Features of Ternary Europium Complexes: Photophysical and Optoelectronic Evaluation>, Name: 2,2′-Bipyridine, the main research area is ternary europium complex luminescence photophys optoelectronics; Cyclovoltammograms; Europium complexes; Fluorinated β-diketone; Thermal analysis.

Trivalent europium complexes exhibit good luminescent characteristics. A series of octacoordinated ternary europium complexes with fluorinated diketone and heteroaromatic auxiliary unit were synthesized. The synthesized europium complexes were characterized by elemental, thermal, electrochem. and spectroscopic analyses. Band gap values lie in range of semiconductors which confirm the conducting behavior of prepared complexes. Photoluminescence spectra were recorded in solid state and DMSO solvent. Emission spectral profiles have displayed most intense peak at ∼ 612 nm corresponding to hypersensitive 5D0 → 7F2 transition. Colorimetric parameters suggest red luminous nature of europium complexes. The luminescent heteroleptic europium complexes might be utilized as emissive materials for fabricating display.

Journal of Fluorescence published new progress about Absorption spectra. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sen, Subhabrata; Barman, Dhiraj; Khan, Haya; Das, Ranajit; Maiti, Debajit published the artcile< Cu(II)-Catalyzed Multicomponent Reaction of Pyridine Derivatives/Isoquinolines with Iodonium Ylide and 1,4-Quinones Using Mechanochemistry>, Application of C6H4F3N, the main research area is isoindolopyridine preparation green chem regioselective mechanochem DFT photoluminescence anticancer; pyridine iodonium ylide quinone multicomponent reaction copper catalyst; isoindoloisoquinoline preparation green chem regioselective mechanochem DFT photoluminescence anticancer; isoquinoline iodonium ylide quinone multicomponent reaction copper catalyst.

An efficient copper-catalyzed solvent-free multicomponent reaction for pyridine derivatives such as 3-methylpyridine, pyridine-3-carbonitrile, 3-(trifluoromethyl)pyridine, etc. Ph iodonium di-Me malonate, and 1,4-quinones such as benzoquinone, p-methylbenzoquinone, anthraquinone and naphthoquinone is developed via a room-temperature ball milling technique. The reported protocol provides a sustainable synthesis of isoindolo[2,1-a]pyridine/isoquinoline class of mols., e.g., I (R = F, H) and e.g., II in good to excellent yield in a mixer mill (RETSCH MM400) engaging the com. available copper acetate (Cu(OAc)2) as a catalyst without the use of organic solvents. It tolerates a myriad of electron-rich and electron-deficient functionalities on the pyridine moiety. The scalability of the protocol was illustrated by successfully performing the reaction in the gram scale. The photoluminescence and related cellular study revealed that these can be used as a fluorescent chromophore-based cellular probe. A clean reaction profile and a facile exptl. setup that is devoid of anhydrous reaction conditions and toxic organic solvents have established the advantages of this strategy over the reported process.

Journal of Organic Chemistry published new progress about Antitumor agents. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Application of C6H4F3N.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Parchment, Oswald G.; Hillier, Ian H.; Green, Darren V. S. published the artcile< A theoretical study of the protometric equilibrium of 6-chloro-2-hydroxypyridine in the gas phase and in solution>, Application In Synthesis of 73018-09-4, the main research area is tautomerism chlorohydroxypyridine; quantum MP4 chlorohydroxypyridine tautomerism; solvation free energy chlorohydroxypyridine tautomerism; CISD quantum chlorohydroxypyridine tautomerism; correlation energy chlorohydroxypyridine tautomerism.

The equilibrium between 6-chloro-2-hydroxypyridine and 6-chloro-2-pyridone has been studied theor. in the gas phase, in water and and in carbon tetrachloride using a combination of electronic structure calculations, including geometry optimization and electron correlation, and mol. dynamics simulations. The use of a 6-31 G** basis with correlation, correctly predicts the increased stability of the enol form upon chlorine substitution at the 6 position and, at the MP4 level, yields agreement with the gas phase energetics to within 1.5 kcal mol-1. The accuracy of the computer simulations in predicting the differential free energy of solvation of the two tautomers in water is also ca. 1.5 kcal mol-1, while for solvation in carbon tetrachloride the corresponding accuracy is ca. 0.2 kcal mol-1.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about CISD. 73018-09-4 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, Application In Synthesis of 73018-09-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kong, Bo; Zhu, Zhaohong; Li, Hongmei; Hong, Qianqian; Wang, Cong; Ma, Yu; Zheng, Wan; Jiang, Fei; Zhang, Zhimin; Ran, Ting; Bian, Yuanyuan; Yang, Na; Lu, Tao; Zhu, Jiapeng; Tang, Weifang; Chen, Yadong published the artcile< Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy>, Safety of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is benzoimidazolyl dimethyl pyrrolyl ethanone preparation antitumor SAR hydrophobicity; 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives; BET inhibitor; Hematologic malignancies; Solid tumors.

As epigenetic readers, bromodomain and extra-terminal domain (BET) family proteins bind to acetylated-lysine residues in histones and recruit protein complexes to promote transcription initiation and elongation. Inhibition of BET bromodomains by small mol. inhibitors has emerged as a promising therapeutic strategy for cancer. Herein, we describe our efforts toward the discovery of a novel series of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as BET inhibitors. Intensive structural modifications led to the identification of compound 35f as the most active inhibitor of BET BRD4 with selectivity against BET family proteins. Further biol. studies revealed that compound 35f can arrest the cell cycle in G0/G1 phase and induce apoptosis via decreasing the expression of c-Myc and other proteins related to cell cycle and apoptosis. More importantly, compound 35f showed favorable pharmacokinetic properties and antitumor efficacy in MV4-11 mouse xenograft model with acceptable tolerability. These results indicated that BET inhibitors could be potentially used to treat hematol. malignancies and some solid tumors.

European Journal of Medicinal Chemistry published new progress about Antitumor agents. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Safety of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem