Tag: M.W=200-250

Trouve, Jonathan; Zardi, Paolo; Al-Shehimy, Shaymaa; Roisnel, Thierry; Gramage-Doria, Rafael published the artcile< Enzyme-like Supramolecular Iridium Catalysis Enabling C-H Bond Borylation of Pyridines with meta-Selectivity>, Recommanded Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is zinc iridium porphyrin COD imidazole complex preparation borylation catalyst; crystal structure zinc iridium porphyrin COD imidazole complex; homogeneous catalysis; iridium; porphyrinoids; pyridine; supramolecular chemistry.

The use of secondary interactions between substrates and catalysts is a promising strategy to discover selective transition metal catalysts for atom-economy C-H bond functionalization. The most powerful catalysts are found via trial-and-error screening due to the low association constants between the substrate and the catalyst in which small stereo-electronic modifications within them can lead to very different reactivities. To circumvent these limitations and to increase the level of reactivity prediction in these important reactions, the authors report herein a supramol. catalyst harnessing Zn···N interactions that binds to pyridine-like substrates as tight as it can be found in some enzymes. The distance and spatial geometry between the active site and the substrate binding site is ideal to target unprecedented meta-selective iridium-catalyzed C-H bond borylations with enzymic Michaelis-Menten kinetics, besides unique substrate selectivity and dormant reactivity patterns.

Angewandte Chemie, International Edition published new progress about Borylation. 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

Xu, Hai-Feng; Pan, You-Lu; Li, Gang-Jian; Hu, Xu-Yang; Chen, Jian-Zhong published the artcile< Copper(II)-Catalyzed Direct C-H (Hetero)arylation at the C3 Position of Indoles Assisted by a Removable N,N-Bidentate Auxiliary Moiety>, Electric Literature of 329214-79-1, the main research area is arylated indole regioselective preparation; indole arylboronic ester arylation copper catalyst.

The regioselective arylation of inert C3-H bonds in indoles reacting with arylboronates via effective copper-mediated catalysis with the aid of a facile and removable 2-pyridinylisopropyl (PIP) group without ligand participation was reported. This newly established method features high compatibility with diverse functional groups between coupling partners, including both indole substrates and arylboron reagents, consequentially leading to operational simplicity and providing access to generate the desired arylated products I [R = H, 4-Me, 5-MeO, 6-Br, etc.; R1 = Me, Bn; Ar = Ph, 2-thienyl, 3-pyridyl, etc.] in good to excellent yields of up to 97%. Synthetically, the PIP-derived amide moiety could subsequently be readily removed under mild reaction conditions to produce useful indolecarboxylic acids for further transformation.

Journal of Organic Chemistry published new progress about Amides, secondary Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Electric Literature of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Takrouri, Khuloud; Cooper, Harold D.; Spaulding, Adnrew; Zucchi, Paula; Koleva, Bilyana; Cleary, Dillon C.; Tear, Westley; Beuning, Penny J.; Hirsch, Elizabeth B.; Aggen, James B. published the artcile< Progress against Escherichia coli with the Oxazolidinone Class of Antibacterials: Test Case for a General Approach To Improving Whole-Cell Gram-Negative Activity>, COA of Formula: C6H5BrN2O2, the main research area is Escherichia oxazolidinone antibacterial gram neg permeation; Gram-negative; efflux pump; outer membrane permeability; oxazolidinones; porins.

Novel antibacterials with activity against the Gram-neg. bacteria associated with nosocomial infections, including Escherichia coli and other Enterobacteriaceae, are urgently needed due to the increasing prevalence of multidrug-resistant strains. A major obstacle that has stalled progress on nearly all small-mol. classes with potential for activity against these species has been achieving sufficient whole-cell activity, a difficult challenge due to the formidable outer membrane and efflux barriers intrinsic to these species. Using a set of compound design principles derived from available information relating physicochem. properties to Gram-neg. entry or activity, we synthesized and evaluated a focused library of oxazolidinone analogs, a currently narrow spectrum class of antibacterials active only against Gram-pos. bacteria. In this series, we have explored the effectiveness for improving Gram-neg. activity by identifying and combining beneficial structural modifications in the C-ring region. We have found polar and/or charge-carrying modifications that, when combined in hybrid C-ring analogs, appear to largely overcome the efflux and/or permeability barriers, resulting in improved Gram-neg. activity. In particular, those analogs least effected by efflux and the permeation barrier had significant zwitterionic character.

ACS Infectious Diseases published new progress about Antibiotics. 870997-85-6 belongs to class pyridine-derivatives, and the molecular formula is C6H5BrN2O2, COA of Formula: C6H5BrN2O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Adamczak, Ashley K.; Howard, William A.; Wheeler, Kraig A. published the artcile< Enhanced nucleophilic substitution with coordinated 4,4'-dichloro-2,2'-bipyridine: X-ray structures of 4,4'-dichloro-2,2'-bipyridine (Bipy-Cl2), cis-dichlorobis(4,4'-dichloro-2,2'-bipyridine)rhodium(III) hexafluorophosphate [Rh](PF6), and tris(4,4'-dichloro-2,2'-bipyridine)ruthenium(II) hexafluorophosphate [Ru](PF6)2>, HPLC of Formula: 1762-41-0, the main research area is ruthenium rhodium chlorobipyridine complex preparation crystal structure; optimized mol structure ruthenium rhodium chlorobipyridine complex.

The chem. reactivity of 4,4′-dichloro-2,2′-bipyridine (bipy-Cl2) changes profoundly upon coordination to a [Ru]2+ center. When not coordinated to [Ru]2+, bipy-Cl2 is relatively unreactive toward nucleophiles; but when coordinated to [Ru]2+, the chlorine atoms become susceptible to nucleophilic displacement. The x-ray structures of bipy-Cl2, cis-dichlorobis (4,4′-dichloro-2,2′-bipyridine)rhodium(III) hexafluorophosphate [Rh](PF6), and tris(4,4′-dichloro-2,2′-bipyridine)ruthenium(II) hexafluorophosphate [Ru](PF6)2 reveal that the carbon-chlorine bond lengths do not change substantially upon coordination to the rhodium or ruthenium centers – implying that the carbon-chlorine bond strengths also do not change substantially. B3LYP calculations reveal that the standard enthalpy of activation (ΔH°≠) for the nucleophilic substitution of the chlorine atom in [Ru (bipy)2{bipy-Cl}]2+(bipy = 2,2′-bipyridine; bipy-Cl = 4-chloro-2,2′-bipyridine) by OCH3- is 46.7 kJ mol-1, while the calculated ΔH°≠ value for the nucleophilic substitution of the chlorine atom in free bipy-Cl by OCH3- is 72.8 kJ mol-1. However, the B3LYP calculations of the ΔH°≠ values for the nucleophilic displacement of the chlorine atom in the cis and trans isomers of [Ru (bipy) (2,2′-biphenyl){bipy-Cl}], which are neutral complexes, are 76.0 and 73.8 kJ mol-1 resp. – comparable to that for the reaction involving free bipy-Cl. Hence, the calculations suggest that the overall pos. charge of the complex is primarily responsible for lowering the activation barrier to nucleophilic substitution in coordinated chloro-bipyridines.

Journal of Molecular Structure published new progress about Crystal structure. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, HPLC of Formula: 1762-41-0.

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

Hoque, Emdadul Md; Hassan, Mirja Mahamudul Md; Chattopadhyay, Buddhadeb published the artcile< Remarkably Efficient Iridium Catalysts for Directed C(sp2)-H and C(sp3)-H Borylation of Diverse Classes of Substrates>, SDS of cas: 329214-79-1, the main research area is directed CH borylation aromatic heterocyclic compound iridium cyclooctadiene catalyst.

Here we describe the discovery of a new class of C-H borylation catalysts and their use for regioselective C-H borylation of aromatic, heteroaromatic, and aliphatic systems. The new catalysts have Ir-C(thienyl) or Ir-C(furyl) anionic ligands instead of the diamine-type neutral chelating ligands used in the standard C-H borylation conditions. It is reported that the employment of these newly discovered catalysts show excellent reactivity and ortho-selectivity for diverse classes of aromatic substrates with high isolated yields. Moreover, the catalysts proved to be efficient for a wide number of aliphatic substrates for selective C(sp3)-H bond borylations. Heterocyclic mols. are selectively borylated using the inherently elevated reactivity of the C-H bonds. A number of late-stage C-H functionalization have been described using the same catalysts. Furthermore, we show that one of the catalysts could be used even in open air for the C(sp2)-H and C(sp3)-H borylations enabling the method more general. Preliminary mechanistic studies suggest that the active catalytic intermediate is the Ir(bis)boryl complex, and the attached ligand acts as bidentate ligand. Collectively, this study underlines the discovery of new class of C-H borylation catalysts that should find wide application in the context of C-H functionalization chem.

Journal of the American Chemical Society published new progress about Aromatic compounds Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, SDS of cas: 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Alsaoub, Sabine; Conzuelo, Felipe; Gounel, Sebastien; Mano, Nicolas; Schuhmann, Wolfgang; Ruff, Adrian published the artcile< Introducing Pseudocapacitive Bioelectrodes into a Biofuel Cell/Biosupercapacitor Hybrid Device for Optimized Open Circuit Voltage>, Product Details of C10H6Cl2N2, the main research area is bioelectrode biofuel cell biosupercapacitor open circuit voltage.

We report the fabrication of a polymer/enzyme-based biosupercapacitor (BSC)/biofuel cell (BFC) hybrid device with an optimized cell voltage that can be switched on demand from energy conversion to energy storage mode. The redox polymer matrixes used for the immobilization of the biocatalyst at the bioanode and biocathode act simultaneously as electron relays between the integrated redox enzymes and the electrode surface (BFC) and as pseudocapacitive charge storing elements (BSC). Moreover, owing to the self-charging effect based on the continuously proceeding enzymic reaction, a Nernstian shift in the pseudocapacitive elements, i.e., in the redox polymers, at the individual bioelectrodes leads to a maximized open circuit voltage of the device in both operating modes. Comparison with a conventional fuel cell design, i.e., using redox mediators with redox potentials that are close to the potentials of the used redox proteins, indicates that the novel hybrid device shows a similar voltage output. Moreover, our results demonstrate that the conventional design criteria commonly used for the development of redox polymers for the use in biofuel cells have to be extended by considering the effect of a Nernstian shift towards the potentials of the used biocatalysts in those pseudocapacitive elements.

ChemElectroChem published new progress about Acinetobacter calcoaceticus. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, Product Details of C10H6Cl2N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem