Tag: M.W=200-250

Ielasi, Guido; Alcover, Gerard; Casellas, Josep; de Graaf, Coen; Orellana, Guillermo; Reguero, Mar published the artcile< Computer-aided design of short-lived phosphorescent Ru(II) polarity probes>, Name: 4,4′-Dichloro-2,2′-bipyridine, the main research area is ruthenium polypyridyl complex fluorescent polarity density functional theory.

Fluorescent polarity probes are usually based on intramol. charge transfer excited states of selected dyes, the behavior of which in different solvents is traditionally rationalized by the well-known Lippert-Mataga treatment of the “”general solvents effect””. Less often transition metal coordination complexes are used as luminescent probes, even though the spectroscopic properties of these dyes are usually dependent on the environment. This is the case of Ru(II) polypyridyls, which are good candidates to develop robust sensitive polarity probes because of their lowest-lying metal-to-ligand charge transfer triplet emissive state, provided their chelating ligands structure is judiciously tuned. The aim of this work has been to design a computational strategy to forecast the behavior of polarity-sensitive Ru(II) complexes without the need to prepare a large set of candidates. In particular, we have analyzed a number of complexes derived from [Ru(bpy)3]2+ by introducing different pairs of substituents in the 4,4′ positions of one of the three equivalent 2,2′-bipyridine (bpy) moieties. In this way, we have investigated if a direct relationship may be established between the electronic features of the substituent and the Stokes shift sensitivity to the solvent polarity. Our computational data satisfactorily agree with our exptl. results, but they demonstrate that only by explicitly performing the calculation of the Stokes shift in different media for each candidate, it is possible to select the best Ru(II) dyes to be used as polarity probes.

Dyes and Pigments published new progress about Photoluminescence. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, Name: 4,4′-Dichloro-2,2′-bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gan, Xinmin; Showalter, Hollis D. published the artcile< A concise synthesis of 3-substituted-7-amino-6-carboxyl-8-azachromones>, Application of C11H16BNO2, the main research area is azachromone amino carboxyl preparation; 4H-pyrano[2,3-b]pyridin-4-one; 8-azachromone; obesity; palladium catalyzed cross-couplings.

We report on an approach to truncate the tricyclic 5H-chromeno[2,3-b]pyridin-5-one core of amlexanox, an approved drug under investigation for the treatment of obesity, to the bicyclic 4H-pyrano[2,3-b]pyridin-4-one (8-azachromone) core. A short, concise synthesis generates a key intermediate with requisite functionality on the pyridyl A-ring and iodo functionality on the 4-pyrone B-ring upon which palladium-catalyzed cross-coupling and subsequent reactions generate representative analogs. One of these shows a 14.2-fold increase in aqueous solubility over amlexanox.

Tetrahedron Letters published new progress about Chromones Role: SPN (Synthetic Preparation), PREP (Preparation) (aza). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Application of C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Messick, Troy E.; Tolvinski, Lois; Zartler, Edward R.; Moberg, Anna; Frostell, Asa; Smith, Garry R.; Reitz, Allen B.; Lieberman, Paul M. published the artcile< Biophysical screens identify fragments that bind to the viral DNA-binding proteins EBNA1 and LANA>, Synthetic Route of 86129-63-7, the main research area is DNA EBNA1 LANA protein ligand interaction binding fragment NMR; biophys screen surface plasmon resonance saturation transfer difference; Epstein–Barr nuclear antigen 1; Epstein–Barr virus; Kaposi’s sarcoma associated herpesvirus (KSHV); fragment-based lead discovery; latency-associated nuclear antigen; protein–DNA interaction; saturation transfer difference-nuclear magnetic resonance; surface plasmon resonance.

The human gamma-herpesviruses Epstein-Barr virus (EBV) (HHV-4) and Kaposi’s sarcoma-associated herpesvirus (KSHV) (HHV-8) are responsible for a number of diseases, including various types of cancer. Epstein-Barr nuclear antigen 1 (EBNA1) from EBV and latency-associated nuclear antigen (LANA) from KSHV are viral-encoded DNA-binding proteins that are essential for the replication and maintenance of their resp. viral genomes during latent, oncogenic infection. As such, EBNA1 and LANA are attractive targets for the development of small-mol. inhibitors. To this end, we performed a biophys. screen of EBNA1 and LANA using a fragment library by saturation transfer difference (STD)-NMR spectroscopy and surface plasmon resonance (SPR). We identified and validated a number of unique fragment hits that bind to EBNA1 or LANA. We also determined the high-resolution crystal structure of one fragment bound to EBNA1. Results from this screening cascade provide new chem. starting points for the further development of potent inhibitors for this class of viral proteins.

Molecules published new progress about Affinity. 86129-63-7 belongs to class pyridine-derivatives, and the molecular formula is C9H9Cl2NO2, Synthetic Route of 86129-63-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Rui-Jun; Chen, Li; Yan, Zong-Cheng published the artcile< Synthesis of Trimethylolpropane Esters of Oleic Acid Using a Multi-SO3H-Functionalized Ionic Liquid as an Efficient Catalyst>, Reference of 21876-43-7, the main research area is trimethylolpropane oleic triester acidic ionic liquid catalyst.

Biodegradable trimethylolpropane triesters of oleic acid were synthesized by esterification of trimethylolpropane and oleic acid over a multi-SO3H-functionalized strong Bronsted acidic ionic liquid as the catalyst. The results showed that the esterification can proceed satisfactorily over the catalyst at an ambient pressure even without simultaneous removal of water. Under the optimal reaction conditions (temperature: 100 °C, reaction time: 3 h, reactant molar ratio: 3.6:1), and catalyst amount, high conversion rate of trimethylolpropane (99.0%) and selectivity of trimethylolpropane triester (92.1%) were obtained. The ionic liquid was reused six times after the removal of water and no obvious change in catalytic activity was detected. Operational simplicity, high yields along with good reusability makes the multi-SO3H-functionalized ionic liquid a promising catalyst for the esterification of trimethylolpropane with oleic acid.

Journal of the American Oil Chemists’ Society published new progress about Biodegradable materials (polymeric). 21876-43-7 belongs to class pyridine-derivatives, and the molecular formula is C9H13NO3S, Reference of 21876-43-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tessarolo, Jacopo; Lee, Haeri; Sakuda, Eri; Umakoshi, Keisuke; Clever, Guido H. published the artcile< Integrative Assembly of Heteroleptic Tetrahedra Controlled by Backbone Steric Bulk>, Recommanded Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is palladium fluorenonedipyridyl cage complex preparation luminescence; crystal structure palladium fluorenonedipyridyl cage complex.

A bent fluorenone-based dipyridyl ligand LA reacts with PdII cations to a solvent-dependent dynamic library of [PdnL2n] assemblies, constituted by a [Pd3LA6] ring and a [Pd4LA8] tetrahedron as major components, and a [Pd6LA12] octahedron as minor component. Introduction of backbone steric hindrance in ligand LB allows exclusive formation of the [Pd6LB12] octahedron. Combining equimolar amounts of both ligands results in integrative self-sorting to give an unprecedented [Pd4LA4LB4] heteroleptic tetrahedron. Key to the non-statistical assembly outcome is exploiting the structural peculiarity of the [Pd4L8] tetrahedral topol., where the four lean ligands occupy two doubly bridged edges and the bulky ligands span the four remaining, singly bridged edges. Hence, the system finds a compromise between the entropic drive to form an assembly smaller than the octahedron and the enthalpic prohibition of pairing two bulky ligands on the same edge of the triangular ring. The emission of luminescent LA is maintained in both homoleptic [Pd3LA6] and heteroleptic [Pd4LA4LB4].

Journal of the American Chemical Society published new progress about Crystal structure. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Recommanded Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

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

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

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

Ding, Li; Pannecouque, Christophe; De Clercq, Erik; Zhuang, Chunlin; Chen, Fen-Er published the artcile< Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs>, Name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is difluorobiphenyl diarylpyrimidine synthesis NNRTIs antiHIV solubility cytotoxicity.

A series of novel heteroaromatic-difluoro-biphenyl-diarylpyrimidines were designed as non-nucleoside anti-HIV inhibitors targeting reverse transcriptase by a fragment-based replacement strategy with the purpose of improving the druggability. Hopping five- or six-membered heterocycle groups on the biphenyl moiety as bioisosterism for intrinsically cyanophenyl gave 23 derivatives All of these compounds possessed excellent HIV-1 inhibitory activity in the nanomolar range. Among them, 12g (I) with a 4-pyridine group displayed excellent inhibitory activity toward WT and mutant HIV virus possessing significant selectivity. Moreover, this compound exhibited a decent improvement in druggability than etravirine and rilpivirine: (1) The hydrochloric acid salt of 12g (I) exhibited significantly improved water solubility in different pH conditions. (2) 12g (I) did not show apparent CYP enzymic inhibitory activity or acute toxicity. (3) Excellent oral bioavailability was also revealed (F = 126%, rats) in 12g. Collectively, these novel heteroaromatic-biphenyl-DAPYs represent promising drug candidates for HIV clin. therapy.

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem