Month: October 2022

Phearman, Alexander S.; Moore, Jewelianna M.; Bhagwandin, Dayanni D.; Goldberg, Jonathan M.; Heinekey, D. Michael; Goldberg, Karen I. published the artcile< (Hexamethylbenzene)Ru catalysts for the Aldehyde-Water Shift reaction>, Safety of (Hexamethylbenzene)ruthenium(II) dichloride dimer, the main research area is crystal structure mol hexamethylbenzene ruthenium complex preparation green chem; hexamethylbenzene ruthenium catalyst aldehyde water shift occupational safety green.

The Aldehyde-Water Shift (AWS) reaction uses H2O as a benign oxidant to convert aldehydes to carboxylic acids, producing H2, a valuable reagent and fuel, as its sole byproduct. (Hexamethylbenzene)RuII complexes are demonstrated to have higher activity and selectivity (up to 95%) for AWS over disproportionation than previously reported catalysts.

Green Chemistry published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 67421-02-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C24H36Cl4Ru2, Safety of (Hexamethylbenzene)ruthenium(II) dichloride dimer.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gu, Yan; Dai, Lei; Mao, Kaimin; Zhang, Jinghang; Wang, Chang; Zhao, Liming; Rong, Liangce published the artcile< Time-Economical Radical Cascade Cyclization/Haloazidation of 1,6-Enynes: Construction of Highly Functional Succinimide Derivatives>, Synthetic Route of 128-09-6, the main research area is phenyl phenylpropioloyl methacrylamide halosuccinimide azidotrimethylsilane tandem radical cyclization haloazidation; halobenzylidene azidomethyl phenylsuccinimide preparation diastereoselective regioselective green chem; azidotrimethylsilane phenyl phenylpropioloyl methacrylamide tandem radical cyclization azidation; benzylidene azidomethyl phenylsuccinimide preparation diastereoselective regioselective green chem.

A “”time-economical”” radical cascade cyclization/haloazidation of 1,6-enynes provided a direct approach to access highly functional succinimide compounds Moderate to excellent yields along with excellent Z/E ratio were obtained under the reaction features of broad substrate scope, good functional group tolerance, and mild reaction conditions.

Organic Letters published new progress about Alkenynes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Synthetic Route of 128-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Jeon, Hyojin; Ko, Soo-Byung; Lee, Sunwoo published the artcile< Palladium-catalyzed decarboxylative gem-selective addition of alkynoic acids to terminal alkynes>, Recommanded Product: 3-(4-Chlorophenyl)propiolic acid, the main research area is gem enyne preparation regioselective DFT study; alkynoic acid terminal alkyne decarboxylative addition palladium catalyst.

The regioselective palladium-catalyzed decarboxylative head-to-tail addition of alkynoic acid derivatives to terminal alkynes furnished gem-1,3-enynes. Both aryl- and alkyl-substituted alkynoic acids showed favorable reactivity and high selectivity. The proposed method provided good yields and showed broad functional group tolerance. In addition, the reaction of alkynoic acids with propiolic acid provided the corresponding gem-1,3-enynes via double decarboxylation. This is the first example of propiolic acid being employed as an acetylene surrogate for the formation of gem-1,3-enynes. D. functional theory calculations were conducted to rationalize the high selectivity observed in the formation of head-to-tail addition products.

Organic Chemistry Frontiers published new progress about Addition reaction (decarboxylative). 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Recommanded Product: 3-(4-Chlorophenyl)propiolic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Oxoby, Mayalen; Moreau, Francois; Durant, Lionel; Denis, Alexis; Genevard, Jean-Marie; Vongsouthi, Vanida; Escaich, Sonia; Gerusz, Vincent published the artcile< Towards Gram-positive antivirulence drugs: New inhibitors of Streptococcus agalactiae Stk1>, Recommanded Product: 2,6-Dichloro-9-methyl-9H-purine, the main research area is preparation structure antibacterial antivirulence inhibitor Streptococcus agalactiae Stk1.

A structure-activity relationship study from a screening hit and structure-based design strategy has led to the identification of bisarylureas as potent inhibitors of Streptococcus agalactiae Stk1. As this target has been directly linked to bacterial virulence, these inhibitors can be considered as a promising step towards antivirulence drugs.

Bioorganic & Medicinal Chemistry Letters published new progress about Antibacterial agents. 2382-10-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H4Cl2N4, Recommanded Product: 2,6-Dichloro-9-methyl-9H-purine.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Rojas-Prats, Elisa; Martinez-Gonzalez, Loreto; Gonzalo-Consuegra, Claudia; Liachko, Nicole F.; Perez, Concepcion; Ramirez, David; Kraemer, Brian C.; Martin-Requero, Angeles; Perez, Daniel I.; Gil, Carmen; de Lago, Eva; Martinez, Ana published the artcile< Targeting nuclear protein TDP-43 by cell division cycle kinase 7 inhibitors: A new therapeutic approach for amyotrophic lateral sclerosis>, Synthetic Route of 16799-05-6, the main research area is cdc7 inhibitor TDP43 ALS FTLD drug discovery; ALS; CDC7 inhibitors; Drug discovery; FTLD; TDP-43.

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disease with no known cure. Aggregates of the nuclear protein TDP-43 have been recognized as a hallmark of proteinopathy in both familial and sporadic cases of ALS. Post-translational modifications of this protein, include hyperphosphorylation, cause disruption of TDP-43 homeostasis and as a consequence, promotion of its neurotoxicity. Among the kinases involved in these changes, cell division cycle kinase 7 (CDC7) plays an important role by directly phosphorylating TDP-43. In the present manuscript the discovery, synthesis, and optimization of a new family of selective and ATP-competitive CDC7 inhibitors based on 6-mercaptopurine scaffold are described. Moreover, we demonstrate the ability of these inhibitors to reduce TDP-43 phosphorylation in both cell cultures and transgenic animal models such as C. elegans and Prp-hTDP43 (A315T) mice. Altogether, the compounds described here may be useful as versatile tools to explore the role of CDC7 in TDP-43 phosphorylation and also as new drug candidates for the future development of ALS therapies.

European Journal of Medicinal Chemistry published new progress about Amyotrophic lateral sclerosis. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Synthetic Route of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Mushtaq, Nafeesa; Chen, Guofei; Sidra, Lala Rukh; Liu, Yang; Fang, Xingzhong published the artcile< Synthesis and crosslinking study of isomeric poly(thioether ether imide)s containing pendant nitrile and terminal phthalonitrile groups>, HPLC of Formula: 118-45-6, the main research area is isomeric polythioether ether imide pendant nitrile terminal phthalonitrile group.

Two novel series of highly organosol. and curable polyimides containing pendant nitrile groups PI (a-d) and phthalonitrile-terminated polyimides PN-PI (a-d) were prepared by solution polycondensation of isomeric bis(chlorophthalimides)s and 2,6-dichlorobenzonitrile with 4,4′-thiobisbenzenethiol. The inherent viscosities of these copolymers were in the range of 0.37-0.59 dL g-1 in N-methyl-2-pyrrolidone (NMP) at 30 °C. The phthalonitrile and pendant nitrile groups in isomeric poly(thioether-ether-imide)s were thermally crosslinked without a catalyst through thermal curing up to 280-360 °C, which led to the transformation from thermoplastic polymers to thermosetting polymers. All PIs before and after crosslinking were characterized by gel permeation chromatog. (GPC), differential scanning calorimetry (DSC) and Fourier transform IR (FT-IR) spectroscopy. PN-PI (a-d) and PI (a-d) were found to be highly soluble in some solvents, such as chloroform, dimethylacetamide, m-cresol, dimethlyformamide and N-methyl-2-pyrrolidone, while the crosslinked polymers were insoluble in all tested solvents. The crosslinking results of pendant nitrile and terminal phthalonitrile groups are also compared. Both series of PIs showed high thermal stability based on 5% weight loss temperature (T5%) in the range of 471-509 °C and increased up to 35 °C after thermal curing. Polyimides showed high glass transition temperatures (Tgs) ranging from 191-213 °C as determined by DSC, but no detectable Tg was observed after thermal heating, indicating the crosslinked structure of PIs. The mech. properties also enhanced after the crosslinking of the copolymers. The tensile modulus and strength of the cured PI films were in the range of 3.3-4.7 GPa and 68-122 MPa, resp., which were up to 62% and 35% higher than the uncured films.

Polymer Chemistry published new progress about Elongation at break. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, HPLC of Formula: 118-45-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Shin, Hyunshun; Gennadios, Heather A.; Whittington, Douglas A.; Christianson, David W. published the artcile< Amphipathic benzoic acid derivatives: Synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC>, HPLC of Formula: 3964-57-6, the main research area is benzoate derivative preparation zinc deacetylase LpxC inhibitor.

The first committed step in lipid A biosynthesis is catalyzed by uridine diphosphate-(3-O-(R-3-hydroxymyristoyl))-N-acetylglucosamine deacetylase (LpxC), a zinc-dependent deacetylase, and inhibitors of LpxC may be useful in the development of antibacterial agents targeting a broad spectrum of Gram-neg. bacteria. Here, the authors report the design of amphipathic benzoic acid derivatives that bind in the hydrophobic tunnel in the active site of LpxC. The hydrophobic tunnel accounts for the specificity of LpxC toward substrates and substrate analogs bearing a 3-O-myristoyl substituent. Simple benzoic acid derivatives bearing an aliphatic tail bind in the hydrophobic tunnel with micromolar affinity despite the lack of a glucosamine ring like that of the substrate. However, although these benzoic acid derivatives each contain a neg. charged carboxylate group intended to coordinate to the active site zinc ion, the 2.25 Å resolution x-ray crystal structure of LpxC complexed with 3-(heptyloxy)benzoate reveals backward binding in the hydrophobic tunnel, such that the benzoate moiety does not coordinate to zinc. Instead, it binds at the outer end of the hydrophobic tunnel. Interestingly, these ligands bind with affinities comparable to those measured for more complicated substrate analog inhibitors containing glucosamine ring analogs and hydroxamate groups that coordinate to the active site zinc ion. The authors conclude that the intermol. interactions in the hydrophobic tunnel dominate enzyme affinity in this series of benzoic acid derivatives

Bioorganic & Medicinal Chemistry published new progress about Conformation. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, HPLC of Formula: 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Bertrand, Sophie M.; Ancellin, Nicolas; Beaufils, Benjamin; Bingham, Ryan P.; Borthwick, Jennifer A.; Boullay, Anne-Benedicte; Boursier, Eric; Carter, Paul S.; Chung, Chun-wa; Churcher, Ian; Dodic, Nerina; Fouchet, Marie-Helene; Fournier, Charlene; Francis, Peter L.; Gummer, Laura A.; Herry, Kenny; Hobbs, Andrew; Hobbs, Clare I.; Homes, Paul; Jamieson, Craig; Nicodeme, Edwige; Pickett, Stephen D.; Reid, Iain H.; Simpson, Graham L.; Sloan, Lisa A.; Smith, Sarah E.; Somers, Donald O’N.; Spitzfaden, Claus; Suckling, Colin J.; Valko, Klara; Washio, Yoshiaki; Young, Robert J. published the artcile< The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits>, Name: 4-Chloro-2-methoxybenzaldehyde, the main research area is mitochondria aminotransferase inhibitor.

The hybridization of hits, identified by complementary fragment and high throughput screens, enabled the discovery of the first series of potent inhibitors of mitochondrial branched-chain aminotransferase (BCATm) based on a 2-benzylamino-pyrazolo[1,5-a]pyrimidinone-3-carbonitrile template. Structure-guided growth enabled rapid optimization of potency with maintenance of ligand efficiency, while the focus on physicochem. properties delivered compounds with excellent pharmacokinetic exposure that enabled a proof of concept experiment in mice. Oral administration of I significantly raised the circulating levels of the branched-chain amino acids leucine, isoleucine, and valine in this acute study.

Journal of Medicinal Chemistry published new progress about Crystal structure. 53581-86-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO2, Name: 4-Chloro-2-methoxybenzaldehyde.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kushch, Olga; Hordieieva, Iryna; Novikova, Katerina; Litvinov, Yurii; Kompanets, Mykhailo; Shendrik, Alexander; Opeida, Iosip published the artcile< Kinetics of N-oxyl Radicals' Decay>, COA of Formula: C8H3ClO3, the main research area is imide phthalimide nitroxide radical decomposition kinetics.

N-oxyl radicals of various structures were generated by oxidation of corresponding N-hydroxy compounds with iodobenzene diacetate, [bis(trifluoroacetoxy)]iodobenzene, and ammonium cerium(IV) nitrate in acetonitrile. The decay rate of N-oxyl radicals follows first-order kinetics and depends on the structure of N-oxyl radicals, reaction conditions, and the nature of the solvent and oxidant. The values of the self-decay constants change within 1.4 x 10-4 s-1 for the 3,4,5,6-tetraphenylphthalimide-N-oxyl radical to 1.4 x 10-2 s-1 for the 1-benzotriazole-N-oxyl radical. It was shown that the rate constants of the phthalimide-N-oxyl radicals’ self-decay with different electron-withdrawing or -donor substituents in the benzene ring are higher than that of the unsubstituted phthalimide-N-oxyl radical in most cases. The solvent effect on the process of phthalimide-N-oxyl radical self-decomposition was investigated. The dependence of the rate constants on the Gutmann donor numbers was shown.

Journal of Organic Chemistry published new progress about Cyclic imides Role: FMU (Formation, Unclassified), PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), FORM (Formation, Nonpreparative), PROC (Process), RACT (Reactant or Reagent) (N-oxyl radicals of). 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, COA of Formula: C8H3ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wu, Jianchang; Liu, Chang; Li, Bo; Gu, Fenglong; Zhang, Luozheng; Hu, Manman; Deng, Xiang; Qiao, Yuan; Mao, Yongyun; Tan, Wenchang; Tian, Yanqing; Xu, Baomin published the artcile< Side-Chain Polymers as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells-The Impact of Substituents' Positions in Carbazole on Device Performance>, Formula: C9H9Cl, the main research area is perovskite solar cell hole transporting material dopant free; side chain polymer substituent position carbazole; dopant-free; hole-transporting material; perovskite solar cells; side-chain polymer; substituents’ positions in carbazole.

Side-chain polymers have the potential to be excellent dopant-free hole-transporting materials (HTMs) for perovskite solar cells (PSCs) because of their unique characteristics, such as tunable energy levels, high charge mobility, good solubility, and excellent film-forming ability. However, there has been less research focusing on side-chain polymers for PSCs. Here, two side-chain polystyrenes with triphenylamine substituents on carbazole moieties were designed and characterized. The properties of the side-chain polymers were tuned finely, including the photophys. and electrochem. properties and charge mobilities, by changing the positions of triphenylamine substituents on carbazole. Owing to the higher mobility and charge extraction ability, the polymer P2 with the triphenylamine substituent on the 3,6-positions of the carbazole unit showed higher performance with power conversion efficiency (PCE) of 18.45%, which was much higher than the PCE (16.78%) of P1 with 2,7-positions substituted. These results clearly demonstrated that side-chain polymers can act as promising HTMs for PSC applications and the performance of side-chain polymers could be optimized by carefully tuning the structure of the monomer, which provides a new strategy to design new kinds of side-chain polymers and obtain high-performance dopant-free HTMs.

ACS Applied Materials & Interfaces published new progress about Hole transport. 1592-20-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H9Cl, Formula: C9H9Cl.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics