Category: 2905-54-6

Wang, Hai; Wang, Chunxia; Wu, Wenzhong; Mo, Zheng; Wang, Zijian published the artcile< Persistent organic pollutants in water and surface sediments of Taihu Lake, China and risk assessment>, Electric Literature of 2905-54-6, the main research area is risk persistent organic pollutant water sediment Taihu Lake China.

Organic pollutants, especially persistent organic pollutants were examined in the water and surface sediments of Taihu Lake, China. In this study, 12 water and 12 sediment samples were collected. C-18 solid-phase extraction technique was applied to extract organic pollutants from water samples. Soxhlet extraction procedure was used to extract organic pollutants from sediment samples. The anal. was performed by GC-MS controlled by a Hewlett Packard chemstation. Two hundred and seventy-three organic chems. in water were examined, 200 more than that detected in 1985; 188 chems. in sediments were detected as well. Among them 21 chems. belong to priority pollutants as well as 17 to be the endocrine disruptors. The concentrations of the pollutants were >2 times higher than that in 1985. The possible source and relation to anthropogenic activity are discussed.

Chemosphere published new progress about Endocrine disrupting chemicals Role: POL (Pollutant), OCCU (Occurrence). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Electric Literature of 2905-54-6.

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

Lin, Lin; Lin, Guangyao; Zhou, Qingtong; Bathgate, Ross A. D.; Gong, Grace Qun; Yang, Dehua; Liu, Qing; Wang, Ming-Wei published the artcile< Design, synthesis and pharmacological evaluation of tricyclic derivatives as selective RXFP4 agonists>, HPLC of Formula: 2905-54-6, the main research area is tricyclic fused azolopyrimidine preparation RXFP4 agonist SAR docking; Molecular docking; Relaxin family peptide receptor 4; Selective agonist; Structure-activity relationship; Synthesis.

A new scaffold of tricyclic derivatives I [X = CH2, O, S, Me2C; Y = CH2, Me2C; V = CH, N, (2-ClC6H4)C, etc.; W = CH, N; R = OH, SH, MeS, pyrrolidin-1-yl] represented by compound I [X = Y = CH2, V = (2-ClC6H4)C, W = N, R = OH] was disclosed as a selective RXFP4 agonist after a high-throughput screening campaign against a diverse library of 52,000 synthetic and natural compounds Two rounds of structural modification around this scaffold were performed focusing on three parts: 2-chlorophenyl group, 4-hydroxylphenyl group and its skeleton including cyclohexane-1,3-dione and 1,2,4-triazole group. Compound I [X = S, Y = CH2, V = (2-IC6H4)C, W = N, R = OH] with a new skeleton of was thus obtained. The enantiomers of compounds I [X = Y = CH2, V = (2-ClC6H4)C, W = N, R = OH] and I [X = S, Y = CH2, V = (2-IC6H4)C, W = N, R = OH] were also resolved with their 9-(S)-conformer favoring RXFP4 agonism. Compared with compound I [X = Y = CH2, V = (2-ClC6H4)C, W = N, R = OH], compound 9-(S)-[X = S, Y = CH2, V = (2-IC6H4)C, W = N, R = OH] exhibited 2.3-fold higher efficacy and better selectivity for RXFP4 (selective ratio of RXFP4 vs. RXFP3 for 9-(S)-[X = S, Y = CH2, V = (2-IC6H4)C, W = N, R = OH] and I [X = Y = CH2, V = (2-ClC6H4)C, W = N, R = OH] were 26.9 and 13.9, resp.).

Bioorganic Chemistry published new progress about Benzaldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, HPLC of Formula: 2905-54-6.

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

Shahzadi, Tayyaba; Saleem, Rahman S. Z.; Chotana, Ghayoor A. published the artcile< Facile Synthesis of Halogen Decorated para-/meta-Hydroxybenzoates by Iridium-Catalyzed Borylation and Oxidation>, Name: Methyl 2,3-dichlorobenzoate, the main research area is para meta hydroxybenzoate preparation; benzoate ester boronic ester borylation oxidation iridium catalyst.

In this report, a facile preparation of 2,6- and 2,3-disubstituted 4/5-hydroxybenzoates by iridium-catalyzed borylation of resp. disubstituted benzoate esters followed by oxidation is described. This synthetic route allows for the incorporation of halogens in the final hydroxybenzoates with substitution patterns not readily accessible by the traditional routes of aromatic functionalization.

Synthesis published new progress about Aromatic esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Name: Methyl 2,3-dichlorobenzoate.

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

Lee, Ho H.; Denny, William A. published the artcile< An improved synthesis of substituted dibenzo[1,4]dioxines>, Category: chlorides-buliding-blocks, the main research area is catechol cyclocondensation halobenzene; dibenzodioxine.

An improved general synthesis of substituted dibenzo[1,4]dioxines I (R = H, 1-Cl, 2-Cl, 1-NO2, 2-NO2, 1-CO2R1, 2-CO2CHMe2; R1 = H, Me, CHMe2) by reaction of 2-HOC6H4OH and R2C6H3R3R4-1,2 (R2 = H, 3-Cl, 3-NO2, 3-CO2R1, 4-Cl, 4-NO2; R3 = R4 = Cl, F, NO2; R3, R4 = Cl, NO2) with K in HMPA is reported. The yields are generally superior to those in published methods.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Cyclocondensation reaction. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Category: chlorides-buliding-blocks.

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

Ningegowda, Raghu; Chandrashekharappa, Sandeep; Singh, Vinayak; Mohanlall, Viresh; Venugopala, Katharigatta N. published the artcile< Design, synthesis and characterization of novel 2-(2,3-dichlorophenyl)-5-aryl-1,3,4-oxadiazole derivatives for their anti-tubercular activity against Mycobacterium tuberculosis>, COA of Formula: C8H6Cl2O2, the main research area is dichlorophenyl aryl oxadiazole preparation antitubercular.

A novel series of 2-(2,3-dichlorophenyl)-5-aryl-1,3,4-oxadiazole derivatives I [R = 3-BrC6H4, 2,3-di-ClC6H3, isoxazol-5-yl, etc.] was synthesized by three-step chem. synthesis and purified by column chromatog. method. The antimycobacterial activity of the title compounds I was evaluated against Mycobacterium tuberculosis H37RvMa strain (ATCC 27294) by the broth micron-dilution method. The title compound I [R = 3-NO2-4-FC6H3] emerged as a promising anti-TB agent at 62.5μg/mL.

Chemical Data Collections published new progress about Benzoic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, COA of Formula: C8H6Cl2O2.

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

Raimundo, Brian C.; Oslob, Johan D.; Braisted, Andrew C.; Hyde, Jennifer; McDowell, Robert S.; Randal, Mike; Waal, Nathan D.; Wilkinson, Jennifer; Yu, Chul H.; Arkin, Michelle R. published the artcile< Integrating Fragment Assembly and Biophysical Methods in the Chemical Advancement of Small-Molecule Antagonists of IL-2: An Approach for Inhibiting Protein-Protein Interactions>, Recommanded Product: Methyl 2,3-dichlorobenzoate, the main research area is interleukin 2 receptor antagonist drug design.

Fragment assembly has shown promise for discovering small-mol. antagonists for difficult targets, including protein-protein interactions. Here, the authors describe a process for identifying a 60 nM inhibitor of the interleukin-2 (IL-2)/IL-2 receptor (IL-2Rα) interaction. By use of fragment-based approaches, a compound with millimolar affinity was evolved to a hit series with low micromolar activity, and these compounds were optimized into a lead series with nanomolar affinity. Fragment assembly was useful not only for hit identification, but also for lead optimization. Throughout the discovery process, biophys. methods and structural biol. demonstrated that compounds bound reversibly to IL-2 at the IL-2 receptor binding site.

Journal of Medicinal Chemistry published new progress about CD25 antigens Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (antagonists). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Recommanded Product: Methyl 2,3-dichlorobenzoate.

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

Derand, Renaud; Bulteau-Pignoux, Laurence; Mettey, Yvette; Zegarra-Moran, Olga; Howell, L. Daniel; Randak, Christoph; Galietta, Luis J. V.; Cohn, Jonathan A.; Norez, Caroline; Romio, Leila; Vierfond, Jean-Michel; Joffre, Michel; Becq, Frederic published the artcile< Activation of G551D CFTR channel with MPB-91: regulation by ATPase activity and phosphorylation>, Synthetic Route of 2905-54-6, the main research area is cystic fibrosis transmembrane conductance regulator mutant activation MPB91 preparation; benzoquinolizinium derivative preparation activation CFTR chloride channel mutant.

We have designed and synthesized benzo[c]quinolizinium derivatives and evaluated their effects on the activity of G551D cystic fibrosis transmembrane conductance regulator (CFTR) expressed in Chinese hamster ovary and Fisher rat thyroid cells. We demonstrated, using iodide efflux, whole cell patch clamp, and short-circuit recordings, that 5-butyl-6-hydroxy-10-chlorobenzo[c]quinolizinium chloride (MPB-91) restored the activity of G551D CFTR (EC50 = 85 μM) and activated CFTR in Calu-3 cells (EC50 = 47 μM). MPB-91 has no effect on the ATPase activity of wild-type and G551D NBD1/R/GST fusion proteins or on the ATPase, GTPase, and adenylate kinase activities of purified NBD2. The activation of CFTR by MPB-91 is independent of phosphorylation because (1) kinase inhibitors have no effect and (2) the compound still activated CFTR having 10 mutated protein kinase A sites (10SA-CFTR). The new pharmacol. agent MPB-91 may be an important candidate drug to ameliorate the ion transport defect associated with CF and to point out a new pathway to modulate CFTR activity.

American Journal of Physiology published new progress about CFTR (cystic fibrosis transmembrane conductance regulator) Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Synthetic Route of 2905-54-6.

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

Marivingt-Mounir, Cecile; Norez, Caroline; Derand, Renaud; Bulteau-Pignoux, Laurence; Nguyen-Huy, Dung; Viossat, Bernard; Morgant, Georges; Becq, Frederic; Vierfond, Jean-Michel; Mettey, Yvette published the artcile< Synthesis, SAR, Crystal Structure, and Biological Evaluation of Benzoquinoliziniums as Activators of Wild-Type and Mutant Cystic Fibrosis Transmembrane Conductance Regulator Channels>, Related Products of 2905-54-6, the main research area is benzoquinolizinium preparation cystic fibrosis transmembrane conductance regulator channel activation; benzoindoloquinolizinium preparation cystic fibrosis transmembrane conductance regulator channel activation.

Chloride channels play important roles in homeostasis and regulate cell volume, transepithelial transport, and elec. excitability. Despite recent progress made in the genetic and mol. aspect of chloride channels, their pharmacol. is still poorly understood. The cystic fibrosis transmembrane conductance regulator (CFTR) is a cAMP-regulated epithelial chloride channel for which mutations cause cystic fibrosis. Here we have synthesized benzo[c]quinolizinium, e.g., I, and benzo[f]indolo[2,3-a]quinolizinium salts (MPB), e.g., II, and performed a SAR to identify the structural basis for activation of the CFTR chloride channel. Synthesized compounds were evaluated on wild-type CFTR and on CFTR having the glycine-to-aspartic acid missense mutation at codon 551 (G551D-CFTR), using a robot and cell-based assay. The presence of an hydroxyl group at position 6 of the benzo[c]quinolizinium skeleton associated with a chlorine atom at position 10 or 7 and an alkyl chain at position 5 determined the highest activity. The most potent product is 5-butyl-7-chloro-6-hydroxybenzo[c]quinolizinium chloride (I, MPB-104). I is 100 times more potent than the parent compound III (MPB-07).

Journal of Medicinal Chemistry published new progress about CFTR (cystic fibrosis transmembrane conductance regulator) Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Related Products of 2905-54-6.

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

Shigeno, Masanori; Hanasaka, Kazuya; Tohara, Itsuki; Izumi, Koki; Yamakoshi, Hiroyuki; Kwon, Eunsang; Nozawa-Kumada, Kanako; Kondo, Yoshinori published the artcile< Direct C-H carboxylation forming polyfunctionalized aromatic carboxylic acids by combined Bronsted bases>, COA of Formula: C8H6Cl2O2, the main research area is polyfunctionalized methyl benzoate preparation; arene carbon dioxide carboxylation Bronsted base promoted.

CO2 fixation into electron-deficient aromatic C-H bonds proceeded with the combined Bronsted bases LiO-t-Bu and LiO-t-Am/CsF/18-crown-6 (t-Am = CEtMe2) under a CO2 atmosphere to afford a variety of polyfunctionalized aromatic carboxylic acid derivatives RCO2Me [R = 2,4,6-tri-BrC6H2, 2,3-di-ClC6H3, 2-O2NC6H4, etc.].

Organic Letters published new progress about Aromatic esters Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, COA of Formula: C8H6Cl2O2.

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

Schierle, Simone; Chaikuad, Apirat; Lillich, Felix F.; Ni, Xiaomin; Woltersdorf, Stefano; Schallmayer, Espen; Renelt, Beatrice; Ronchetti, Riccardo; Knapp, Stefan; Proschak, Ewgenij; Merk, Daniel published the artcile< Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics>, Electric Literature of 2905-54-6, the main research area is oxaprozin analog RXR agonist pharmacokinetic SAR.

The retinoid X receptors (RXR) are ligand-activated transcription factors involved in multiple regulatory networks as universal heterodimer partners for nuclear receptors. Despite their high therapeutic potential in many pathologies, targeting of RXR has only been exploited in cancer treatment as the currently available RXR agonists suffer from exceptional lipophilicity, poor pharmacokinetics (PK), and adverse effects. Aiming to overcome the limitations and to provide improved RXR ligands, we developed a new potent RXR ligand chemotype based on the nonsteroidal anti-inflammatory drug oxaprozin. Systematic structure-activity relationship anal. enabled structural optimization toward low nanomolar potency similar to the well-established rexinoids. Cocrystal structures of the most active derivatives demonstrated orthosteric binding, and in vivo profiling revealed superior PK properties compared to current RXR agonists. The optimized compounds were highly selective for RXR activation and induced RXR-regulated gene expression in native cellular and in vivo settings suggesting them as excellent chem. tools to further explore the therapeutic potential of RXR.

Journal of Medicinal Chemistry published new progress about Crystal structure. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Electric Literature of 2905-54-6.

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