Month: October 2022

Thun-Hohenstein, Siegfried T. D.; Suits, Timothy F.; Malla, Tika R.; Tumber, Anthony; Brewitz, Lennart; Choudhry, Hani; Salah, Eidarus; Schofield, Christopher J. published the artcile< Structure-Activity Studies Reveal Scope for Optimisation of Ebselen-Type Inhibition of SARS-CoV-2 Main Protease>, Formula: C7H4Br2O2, the main research area is ebselen derivative SARS CoV2 main protease inhibitor COVID19; COVID-19; Mpro inhibition; SARS-CoV-2; ebselen; ebsulfur; nucleophilic cysteine protease..

The reactive organoselenium compound ebselen is being investigated for treatment of coronavirus disease 2019 (COVID-19) and other diseases. We report structure-activity studies on sulfur analogs of ebselen with the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro), employing turnover and protein-observed mass spectrometry-based assays. The results reveal scope for optimization of ebselen/ebselen derivative- mediated inhibition of Mpro, particularly with respect to improved selectivity.

ChemMedChem published new progress about Anticoronaviral agents. 603-78-1 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4Br2O2, Formula: C7H4Br2O2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhu, Huajie; An, Jinxia; Pang, Chengcai; Chen, Shuai; Li, Wei; Liu, Jinbiao; Chen, Qixian; Gao, Hui published the artcile< A multifunctional polymeric gene delivery system for circumventing biological barriers>, Quality Control of 184239-35-8, the main research area is multifunctional polymer gene delivery.

Aiming to circumvent the pre-defined obstacles in the journey of gene transportation, we attempt to compile a number of functional components into a tandem tri-copolymeric material. Herein, a β-cyclodextrin-functionalized poly(glycerol methacrylate) (PG) segment and a quaternary amine-functionalized poly[(2-acryloyl)-ethyl-(p-boronic acid pinacol ester benzyl)diethylammonium bromide] (BP) segment are attached to complex DNA to formulate a nanoscaled delivery system based on electrostatic interactions. The formulated polyplex is strengthened by a hydrophobic poly[2-(5,5-dimethyl-1,3-dioxan-2-yloxy)ethyl acrylate] (PDM) segment, affording improved complex stability. To retrieve the polyplex from entrapment by acidic and digestive endo/lysosomes, light-stimulated ROS-producing 4,4′-(1,2-diphenylethene-1,2-diyl)bis(1,4-phenylene)diboronic acid (TPE) is installed in the cavities of cyclodextrin. Upon light irradiation, TPE is triggered to produce abundant ROS, not only committing disruption of the endo/lysosome membrane for polyplex escape from the entrapment but also inducing the transformation of the pos. charged BP to become neg. charged. This charge conversion behavior, together with the transformation of PDM to be hydrophilic and responsive to an acidic endosome pH gradient (pH 5.0) is envisioned to induce the dissociation of the electrostatically-assembled polyplex, thereby facilitating the release of the DNA payload for the subsequent transcription machinery. This strategically-tailored and easily synthesized tandem tri-copolymer exhibits excellent gene expression activity and provides a facile response to endogenous and exogenous stimuli for active gene expression.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about Gene therapy. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, Quality Control of 184239-35-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Minjian; Jiang, Huimin; Yang, Zhuo; Liu, Xue; Sun, Hanyu; Hao, Mengyao; Hu, Jinping; Chen, Xiaoguang; Jin, Jing; Wang, Xiaojian published the artcile< Design, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton's tyrosine kinase (BTK) inhibitors>, COA of Formula: C7H8BrN, the main research area is pyrrolopyrimidine preparation Brutons tyrosine kinase mol docking antitumor activity; B-Cell lymphomas; BTK inhibitor; Kinase selectivity.

Here, four key regions where inhibitors bind to BTK were identified by analyzing the existing crystal structures of BTK complexes. Then, a scaffold-based mol. design work flow was established by integrating fragment-growing method, deep learning-based framework XGraphBoost and mol. docking, leading to four compounds that showed potency against BTK. Optimization of compounds I and II led to the discovery of the potent BTK inhibitor compound III by using in vitro potency and pharmacokinetic (PK) studies to prioritize the compounds Compound III exhibited great BTK inhibition activity (IC50 = 0.7 nM) along with high oral absorption. Moreover, compound III demonstrated excellent kinase selectivity, especially over EGFR kinase, and low toxicity. In a TMD8 xenograft model, compound III significantly inhibited tumor growth (TGI = 104%) at a dosage of 50 mg/kg, indicating its potential as a novel therapeutic option for B-cell lymphomas.

European Journal of Medicinal Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), PKT (Pharmacokinetics), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, COA of Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Budiman, Yudha P.; Friedrich, Alexandra; Radius, Udo; Marder, Todd B. published the artcile< Copper-Catalysed Suzuki-Miyaura Cross-Coupling of Highly Fluorinated Aryl Boronate Esters with Aryl Iodides and Bromides and Fluoroarene-Arene π-Stacking Interactions in the Products>, Quality Control of 576-83-0, the main research area is fluorophenylboronic acid pinacol ester haloarene copper catalyst Suzuki coupling; biaryl preparation.

A combination of copper iodide and phenanthroline as the ligand is an efficient catalyst for Suzuki-Miyaura cross-coupling of highly fluorinated boronate esters (aryl-Bpin) with aryl iodides and bromides to generate fluorinated biaryls in good to excellent yields. This method represents a nice alternative to traditional cross-coupling methods which require palladium catalysts and stoichiometric amounts of silver oxide. The investigation revelaed that π···π stacking interactions dominated the mol. packing in the partly fluorinated biaryl crystals. They were present either between the arene and perfluoroarene, or solely between arenes or perfluoroarenes, resp.

ChemCatChem published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Quality Control of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Companyo, Xavier; Alba, Andrea-Nekane; Cardenas, Francisco; Moyano, Albert; Rios, Ramon published the artcile< Asymmetric Organocatalytic Cyclopropanation - Highly Stereocontrolled Synthesis of Chiral Cyclopropanes with Quaternary Stereocenters>, SDS of cas: 3893-18-3, the main research area is unsaturated aldehyde bromo keto ester chiral silyloxymethylpyrrolidine asym cyclopropanation; cyclopropane carboxaldehyde derivative stereoselective preparation; chiral silyloxymethylpyrrolidine asym cyclopropanation organocatalyst.

A convenient and novel domino reaction for the synthesis of highly functionalized cyclopropanes is reported. The addition of 2-bromo keto esters to a variety of α,β-unsaturated aldehydes catalyzed by secondary amines leads to chiral cyclopropanes, e.g., I, with three stereogenic carbon atoms, including one quaternary stereocenter, in a highly stereocontrolled fashion.

European Journal of Organic Chemistry published new progress about Cycloalkanes Role: SPN (Synthetic Preparation), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, SDS of cas: 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Biqin; Wang, Peng published the artcile< Concise synthesis and applications of enantiopure spirobiphenoxasilin-diol and its related chiral ligands>, Category: bromides-buliding-blocks, the main research area is enantiopure spirobiphenoxasilin diol phosphonate preparation crystal mol structure; chiral ligand enantiopure spirobiphenoxasilin diol preparation catalyst asym reaction.

The development of chiral architectures for chiral ligand and catalyst discovery is essential for asym. catalysis. Herein, authors report the concise synthesis of a Si-centered spirocyclic skeleton, spirobiphenoxasilin-diol (SPOSiOL), and its derived chiral ligands. Using the chem. resolution method, the optical SPOSiOL could be obtained in high yield on a gram scale. Preliminary studies indicated that this ligand scaffold has great potential in transition metal-catalyzed asym. reactions. This finding further highlights that the Si-centered spirocyclic scaffolds are of great value in asym. catalysis.

Chemical Communications (Cambridge, United Kingdom) published new progress about Crystal structure. 135999-16-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H7BrO2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yu, Tiechen; Han, Yuntao; Yao, Hongyan; Chen, Zheng; Guan, Shaowei published the artcile< Polymeric optoelectronic materials with low-voltage colorless-to-black electrochromic and AIE-activity electrofluorochromic dual-switching properties>, HPLC of Formula: 184239-35-8, the main research area is polyamide optoelectronic material electrofluorochromic dual switching property.

In recent years, colorless-to-black electrochromic (EC) and electrofluorochromic (EFC) materials are attracting increasing interest for the fundamental scientific research and potential applications. In order to achieve multiple-response optoelectronic materials with better black conversion and solid-state fluorescence performance (black-color/emission dual-switchable materials), the authors adopted a novel design strategy to synthesis a diamine monomer named TPE-NH2, in which the π-core tetraphenylethene (TPE) connects with two oxidation centers. All the polyamides/polyimides based on this monomer exhibited good solubility, thermal stability and aggregation-induced emission (AIE) activity. Among these, polyamide 5a not only showed rare EC properties (colorless-to-black) with ultra-low voltage (0-0.75 V), high optical contrasts (up to 87.9% at 692 nm) and fast switching times (2.04/1.45 s) but also demonstrated high fluorescence properties with the introduction of TPE. In addition, polyamide 5a showed good continuous switching stability for EC property and acceptable stability for EFC property, which makes it a potential candidate in EC/EFC applications.

Dyes and Pigments published new progress about Band gap. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, HPLC of Formula: 184239-35-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Haixia; Ding, Xinyu; Liu, Linyi; Mi, Qianglong; Zhao, Quanju; Shao, YuBao; Ren, Chaowei; Chen, Jinju; Kong, Ying; Qiu, Xing; Elvassore, Nicola; Yang, Xiaobao; Yin, Qianqian; Jiang, Biao published the artcile< Discovery of novel BCR-ABL PROTACs based on the cereblon E3 ligase design, synthesis, and biological evaluation>, Recommanded Product: 4-Bromoisobenzofuran-1,3-dione, the main research area is BCR ABL PROTAC cereblon E3 ligase drug design; BCR-ABL; CRBN; Degradation; Leukemia; PROTAC.

Protein degradation is a promising strategy for drug development. Proteolysis-targeting chimeras (PROTACs) hijacking the E3 ligase cereblon (CRBN) exhibit enormous potential and universal degradation performance due to the small mol. weight of CRBN ligands. In this study, the CRBN-recruiting PROTACs were explored on the degradation of oncogenic fusion protein BCR-ABL, which drives the pathogenesis of chronic myeloid leukemia (CML). A series of novel PROTACs were synthesized by conjugating BCR-ABL inhibitor dasatinib to the CRBN ligand including pomalidomide and lenalidomide, and the extensive structure-activity relationship (SAR) studies were performed focusing on optimization of linker parameters. Therein, we uncovered that pomalidomide-based degrader 17 (SIAIS056), possessing sulfur-substituted carbon chain linker, exhibits the most potent degradative activity in vitro and favorable pharmacokinetics in vivo. Besides, degrader 17 also degrades a variety of clin. relevant resistance-conferring mutations of BCR-ABL. Furthermore, degrader 17 induces significant tumor regression against K562 xenograft tumors. Our study indicates that 17 as an efficacious BCR-ABL degrader warrants intensive investigation for the future treatment of BCR-ABL+ leukemia.

European Journal of Medicinal Chemistry published new progress about Absorption. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Recommanded Product: 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Wen-Xin; Yang, Bo-Wen; Ying, Xuan; Zhang, Zhuo-Wen; Chu, Xue-Qiang; Zhou, Xiaocong; Ma, Mengtao; Shen, Zhi-Liang published the artcile< Nickel-Catalyzed Direct Cross-Coupling of Diaryl Sulfoxide with Aryl Bromide>, Computed Properties of 576-83-0, the main research area is biaryl preparation; diaryl sulfoxide aryl bromide cross coupling nickel catalyst.

The direct cross-couplings of diaryl sulfoxides with aryl bromides via C-S bond cleavage could be readily accomplished using nickel(II) as the catalyst, 1,2-bis(diphenylphosphino)ethane (dppe) as the ligand, and magnesium turnings as the reducing metal in THF, leading to the corresponding biaryls RR1 [R = Ph, 4-MeC6H4, 2-naphthyl, etc.; R1 = 4-MeOC6H4, 2-pyridyl, benzofuran-5-yl, etc.] in moderate to good yields. The reaction exhibited a broad substrate scope and could be applied to a gram-scale synthesis. The ”one-pot” reaction, which avoided the utility of presynthesized and moisture-labile organometallic compounds, was operationally simple and step-economic.

Journal of Organic Chemistry published new progress about Aromatic compounds, sulfoxides Role: RCT (Reactant), RACT (Reactant or Reagent). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Computed Properties of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Vogel, Wilfried; Heitz, Walter published the artcile< Liquid-crystalline poly(4-hydroxybenzoates) with phenethyl side chains>, Recommanded Product: 2-Bromo-4-nitrobenzoic acid, the main research area is polyhydroxybenzoate liquid crystal phenethyl substituent; statistical substituent polyester liquid crystal.

An important means to decrease the m.p. of liquid-crystalline polymers is the statistical arrangement of substituents along the chain. Thermotropic liquid-crystalline poly(4-hydroxybenzoates) bearing one phenethyl substituent in different positions of the monomer were synthesized via melt polycondensation. The relation between the arrangement of the substituent along the polymer backbone and the properties of the polyesters was investigated. The 2 polyesters with the substituent either in 2- or 3-position revealed highly crystalline and poorly soluble products. In contrast to this, the random copolyester is an amorphous and well-soluble polymer.

Makromolekulare Chemie published new progress about Crystallinity. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Recommanded Product: 2-Bromo-4-nitrobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary