Month: November 2022

Auti, Prashant S.; Nandi, Arijit; Kumari, Vijeta; Paul, Atish T. published an article in 2022, the title of the article was Design, synthesis, biological evaluation and molecular modelling studies of oxoacetamide warhead containing indole-quinazolinone based novel hybrid analogues as potential pancreatic lipase inhibitors.Quality Control of 2-(2-Bromoethyl)isoindoline-1,3-dione And the article contains the following content:

A novel series of indolyl oxoacetamide-quinazolinone hybrid analogs (9aa-9df) were designed, synthesized, and evaluated for their in vitro pancreatic lipase (PL) inhibitory potential which may lead to efficient anti-obesity agents. All the synthesized hybrid analogs exhibited moderate to potent PL inhibitory activity (IC50 = 32.51 to 4.86 μM). Among all the analogs, 9ak, 9af, 9aj, and 9ah were found to have the most potent PL inhibitory activity (IC50 = 4.86, 5.73, 5.83, and 5.94 μM resp.), as compared to orlistat (IC50 = 0.86 μM). The most potent analogs 9af and 9ak were found to inhibit PL competitively with an inhibition constant (Ki) of 2.136, 1.648 μM. Furthermore, the docking study confirmed the binding of analogs 9ak and 9af (MolDock score of -161.25, -133.67 kcal mol-1) that exhibited docking interactions with important active site amino acids, namely Phe 77, Tyr 114, Ser 152, Arg 256, His 263, etc. Also, the anal. of analog 9ak and 9af in SeeSAR revealed the covalent inhibition of PL. In mol. dynamics simulations of 100 ns, the complex between each analog (9ak & 9af) and PL was found to be stable (RMSD < 1.5 Å). The present work highlights the importance of a hybrid drug design approach for the development of indole and quinazolinone containing hybrids as potential PL inhibitors. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).Quality Control of 2-(2-Bromoethyl)isoindoline-1,3-dione

The Article related to obesity indole quinazolinone mol modeling pancreatic lipase inhibitor antiobesity, Placeholder for records without volume info and other aspects.Quality Control of 2-(2-Bromoethyl)isoindoline-1,3-dione

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On March 31, 2020, Hamdani, Syeda Shamila; Khan, Bilal Ahmad; Hameed, Shahid; Batool, Farwa; Saleem, Hafiza Nosheen; Ullah Mughal, Ehsan; Saeed, Muhammad published an article.HPLC of Formula: 574-98-1 The title of the article was Synthesis and evaluation of novel S-benzyl- and S-alkylphthalimide- oxadiazole -benzenesulfonamide hybrids as inhibitors of dengue virus protease. And the article contained the following:

Direct acting antiviral drugs (DAADs) are becoming therapeutics of choice for the treatment of viral infections. Successful development of anti HIV and HCV drugs by targeting the viral proteases has provided impetus for discovering newer DAADs. Dengue virus (DENV) protease, which is composed of two nonstructural proteins, NS2B and NS3pro, can be likewise exploited for discovering new anti-dengue therapeutics. In this study, we have linked together two pharmaceutically interesting motifs, namely 1,3,4-oxadiazole and benzenesulfonamide in two alternative series to develop novel S-benzylated and S-alkylphthalimidated hybrids. For the first series of hybrids, 4-aminobenzoic acid (1) was reacted with substituted benzenesulfonyl chlorides via its amino group, whereas the carboxylic acid side was elaborated to sulfonamido-1,3,4-oxadiazole-2-thiols (6a/b) in three steps. At this stage, the intermediates 6a/b were bifurcated to either S-alkylphthalimidated (8a-j) or S-benzylated (9a-c) hybrids by reacting with corresponding halides. For the alternative series of hybrids, the carboxylic acid group of probenecid (10) was similarly elaborated to sulfonamido-1,3,4-oxadiazole-2-thiols (13), and diverged to S-alkylphthalimidated (14a-f) and S-benzylated hybrids (15a-e). Bioactivity assays demonstrated that 8g and 8h are the most potent inhibitors among the synthesized analogs, exhibiting the IC50 values of 13.9 μM and 15.1 μM, resp. Computational assessment predicted the binding of the inhibitors at an allosteric site developed in the open conformation of DENV2 NS2B/NS3pro. Taken together these findings point out that the synthesized hybrid inhibitors possess a great potential for further antiviral drug development. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).HPLC of Formula: 574-98-1

The Article related to dengue virus protease antiviral drug binding benzenesulfonamide oxadiazole hybrids, Placeholder for records without volume info and other aspects.HPLC of Formula: 574-98-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On December 24, 2020, Ang, Chee Wei; Tan, Lendl; Sykes, Melissa L.; AbuGharbiyeh, Neda; Debnath, Anjan; Reid, Janet C.; West, Nicholas P.; Avery, Vicky M.; Cooper, Matthew A.; Blaskovich, Mark A. T. published an article.SDS of cas: 2567-29-5 The title of the article was Antitubercular and Antiparasitic 2-Nitroimidazopyrazinones with Improved Potency and Solubility. And the article contained the following:

Following the approval of delamanid and pretomanid as new drugs to treat drug-resistant tuberculosis, there is now a renewed interest in bicyclic nitroimidazole scaffolds as a source of therapeutics against infectious diseases. We recently described a nitroimidazopyrazinone bicyclic subclass with promising antitubercular and antiparasitic activity, prompting addnl. efforts to generate analogs with improved solubility and enhanced potency. The key pendant aryl substituent was modified by (i) introducing polar functionality to the methylene linker, (ii) replacing the terminal Ph group with less lipophilic heterocycles, or (iii) generating extended biaryl side chains. Improved antitubercular and antitrypanosomal activity was observed with the biaryl side chains, with most analogs achieved 2- to 175-fold higher activity than the monoaryl parent compounds, with encouraging improvements in solubility when pyridyl groups were incorporated. This study has contributed to understanding the existing structure-activity relationship (SAR) of the nitroimidazopyrazinone scaffold against a panel of disease-causing organisms to support future lead optimization. The experimental process involved the reaction of 4-(Bromomethyl)-1,1′-biphenyl(cas: 2567-29-5).SDS of cas: 2567-29-5

The Article related to structure antitubercular antiparasitic nitroimidazo pyrazinone derivative preparation, Placeholder for records without volume info and other aspects.SDS of cas: 2567-29-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On December 31, 2020, Kickinger, Stefanie; Al-Khawaja, Anas; Haugaard, Anne Staehr; Lie, Maria E. K.; Bavo, Francesco; Loeffler, Rebekka; Damgaard, Maria; Ecker, Gerhard F.; Froelund, Bente; Wellendorph, Petrine published an article.COA of Formula: C13H11Br The title of the article was Exploring the molecular determinants for subtype-selectivity of 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid analogs as betaine/GABA transporter 1 (BGT1) substrate-inhibitors. And the article contained the following:

We have previously identified 2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid (ATPCA) as the most potent substrate-inhibitor of the betaine/GABA transporter 1 (BGT1) (IC50 2.5 μM) reported to date. Herein, we characterize the binding mode of 20 novel analogs and propose the mol. determinants driving BGT1-selectivity. A series of N1-, exocyclic-N-, and C4-substituted analogs was synthesized and pharmacol. characterized in radioligand-based uptake assays at the four human GABA transporters (hGATs) recombinantly expressed in mammalian cells. Overall, the analogs retained subtype-selectivity for hBGT1, though with lower inhibitory activities (mid to high micromolar IC50 values) compared to ATPCA. Further characterization of five of these BGT1-active analogs in a fluorescence-based FMP assay revealed that the compounds are substrates for hBGT1, suggesting they interact with the orthosteric site of the transporter. In silico-guided mutagenesis experiments showed that the non-conserved residues Q299 and E52 in hBGT1 as well as the conformational flexibility of the compounds potentially contribute to the subtype-selectivity of ATPCA and its analogs. Overall, this study provides new insights into the mol. interactions governing the subtype-selectivity of BGT1 substrate-inhibitors. The findings may guide the rational design of BGT1-selective pharmacol. tool compounds for future drug discovery. The experimental process involved the reaction of 4-(Bromomethyl)-1,1′-biphenyl(cas: 2567-29-5).COA of Formula: C13H11Br

The Article related to amino tetrahydropyrimidine carboxylic acid betaine gaba transporter substrate inhibitor, Placeholder for records without volume info and other aspects.COA of Formula: C13H11Br

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On February 29, 2020, Ruan, Qing; Zhang, Xuran; Gan, Qianqian; Fang, Si-an; Zhang, Junbo published an article.HPLC of Formula: 574-98-1 The title of the article was Preparation of two 99mTc(CO)3 labelled complexes with a 4-nitroimidazole isocyanide at different temperatures for molecular imaging of tumor hypoxia. And the article contained the following:

A 4-nitroimidazole isocyanide derivative (6) was synthesized and radiolabeled with 99mTc(CO)3 core in high yield. It was interesting to note that 99mTc(CO)3-6a and 99mTc(CO)3-6b can be prepared at 100 °C and 25 °C, resp. 99mTc(CO)3-6a had three 6 mols. while 99mTc(CO)3-6b contained two 6 mols. The corresponding rhenium complexes were prepared to confirm the structure of the 99mTc complexes. Both complexes showed good stability in vitro and hypoxic selectivity. The partition coefficient results indicated both of them were hydrophilic and 99mTc(CO)3-6a was more hydrophilic than 99mTc(CO)3-6b. From the biodistribution study results, 99mTc(CO)3-6a showed higher tumor/blood and tumor/muscle ratios at 2 h post-injection. Further, single photon emission computed tomog. (SPECT) imaging study of 99mTc(CO)3-6a showed there was an observable tumor uptake, suggesting it would be a potential tracer for imaging of tumor hypoxia. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).HPLC of Formula: 574-98-1

The Article related to preparation technetium nitroimidazole isocyanide complex temperature tumor hypoxia imaging, Placeholder for records without volume info and other aspects.HPLC of Formula: 574-98-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On June 12, 2020, Ongwae, George M.; Morrison, Kelly R.; Allen, Ryan A.; Kim, Seonghoon; Im, Wonpil; Wuest, William M.; Pires, Marcos M. published an article.Quality Control of 4-(Bromomethyl)-1,1′-biphenyl The title of the article was Broadening Activity of Polymyxin by Quaternary Ammonium Grafting. And the article contained the following:

Bacterial pathogens continue to impose a tremendous health burden across the globe. Here, we describe a novel series of polymyxin-based agents grafted with membrane-active quaternary ammonium warheads to combine two important classes of Gram-neg. antimicrobial scaffolds. The goal was to deliver a targeted quaternary ammonium warhead onto the surface of bacterial pathogens using the outer membrane homing properties of polymyxin. The most potent agents resulted in new scaffolds that retained the ability to target Gram-neg. bacteria and had limited toxicity toward mammalian cells. We showed, using a mol. dynamics approach, that the new agents retained their ability to engage in specific interactions with lipopolysaccharide mols. Significantly, the combination of quaternary ammonium and polymyxin widens the activity to the pathogen Staphylococcus aureus. Our results serve as an example of how two membrane-active agents can be combined to produce a class of novel scaffolds with potent biol. activity. The experimental process involved the reaction of 4-(Bromomethyl)-1,1′-biphenyl(cas: 2567-29-5).Quality Control of 4-(Bromomethyl)-1,1′-biphenyl

The Article related to polymyxin quaternary ammonium grafting antibiotic, antibiotic, colistin, membrane, polymyxin, quarternary ammonium, Placeholder for records without volume info and other aspects.Quality Control of 4-(Bromomethyl)-1,1′-biphenyl

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On October 15, 2021, Ma, Xiaojun; Sun, Nannan; Li, Xinwei; Fu, Wei published an article.Recommanded Product: 2567-29-5 The title of the article was Discovery of novel N-sulfonamide-tetrahydroisoquinolines as potent retinoic acid receptor-related orphan receptor γt agonists. And the article contained the following:

Cancer immunotherapy has become a research hotspot in recent years. A variety of targets were developed for small mol. immuno-oncol. agents, including retinoic acid-related orphan receptor gamma t (RORγt), chemokine receptor, stimulator of interferon genes (Sting), indoleamine 2,3-dioxygenase (IDO), toll-like receptors (TLR), etc. Among them, the retinoic acid receptor-related orphan receptor γt (RORγt) has gradually attracted more attention in these years. In particular, LYC-55716 (cintirorgon), a small mol. RORγt agonist developed by Lycera, has entered the phase II clin. study. In this work, starting from compound 7, compound 28 was obtained after 4 rounds of compound design, synthesis and SAR studies, which had an EC50 of 0.021 ± 0.002 μM in dual Fluorescence Resonance Energy Transfer (dual-FRET) assay and an EC50 of 0.021 ± 0.002 μM in mouse Th17 cell differentiation assay. It indicated that compound 28 had excellent RORγt agonistic activity and was expected to be developed as a new type of small mol. drug for cancer immunotherapy. The mol. dynamic simulation revealed that the agonist 28 formed a strong HYF triplet intramol. interaction to stabilize H12, which helped RORγt to form the protein-binding site and therefore made the receptor ready to recruit coactivator. When the inverse agonist s27 bound with RORγt, the steric hindrance between s27 and H479 caused the destruction of the HYF triplet, leading to the collapse of H12, thus the transcription function of RORγt was interrupted due to the failure of recruiting a coactivator mol. The triplet HYF in RORγt and the rigidity of 28 and s27 were identified to be the structural determinants for the functional switch of RORγt. The experimental process involved the reaction of 4-(Bromomethyl)-1,1′-biphenyl(cas: 2567-29-5).Recommanded Product: 2567-29-5

The Article related to sulfonamide tetrahydroisoquinoline potent retinoic acid receptor, agonists, cancer immunotherapy, inverse agonists, rorγt, Placeholder for records without volume info and other aspects.Recommanded Product: 2567-29-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ruan, Qing; Gan, Qianqian; Zhang, Xuran; Fang, Sian; Zhang, Junbo published an article in 2021, the title of the article was Preparation and bioevaluation of novel 99mTc-labeled complexes with a 2-nitroimidazole HYNIC derivative for imaging tumor hypoxia.Recommanded Product: 574-98-1 And the article contains the following content:

To develop novel 99mTc-labeled single-photon emission computed tomog. (SPECT) radiotracers for imaging hypoxia, a novel HYNICNM ligand (6-hydrazinonicotinamide (HYNIC) 2- nitroimidazole derivative)was designed and synthesized. Itwas radiolabeledwith technetium-99musing tricine/trisodiumtriphenylphosphine-3,3′′,3′′-trisulfonate (TPPTS), tricine/sodiumtriphenylphosphine-3-monosulfonate (TPPMS) and tricine as co-ligands to obtain [99mTc]Tc-tricine-TPPTS-HYNICNM, [99mTc]Tc-tricine-TPPMS-HYNICNM, and [99mTc]Tc-(tricine)2-HYNICNM, resp. The three technetium-99m complexes were radiolabeled in one step with a high yield (95%) and had good stability in saline and mouse serum. In vitro cellular uptake results showed that these complexes exhibited good hypoxic selectivity. The partition coefficient indicated that they were good hydrophilic complexes, and [99mTc]Tc-tricine-TPPTS-HYNICNM displayed the highest hydrophilicity (-3.02 ± 0.08). The biodistribution in mice bearing S180 tumors showed that [99mTc]Tc-tricine-TPPTS-HYNICNM exhibited higher tumor uptake (1.05 ± 0.27% IA/g); more rapid clearance from the liver, blood, muscle, and other non-target organs; and a higher tumor/non-target ratio, especially for the tumor/liver ratio (1.95), than [99mTc]Tc-tricine-TPPMS-HYNICNM and [99mTc]Tc-(tricine)2-HYNICNM. The results of single-photon emission computed tomog. (SPECT) imaging studies of [99mTc]Tctricine-TPPTS-HYNICNM were in accordance with the biodistribution results, which suggested that [99mTc]Tc-tricine-TPPTS-HYNICNM is a promising agent for imaging tumor hypoxia. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).Recommanded Product: 574-98-1

The Article related to nitroimidazole technetium hydrazinonicotinamide tumor hypoxia imaging, 2-nitroimidazole, hynic, hypoxia, technetium-99m, tumor, Placeholder for records without volume info and other aspects.Recommanded Product: 574-98-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On March 31, 2020, Babin, Victor; Tournier, Benjamin B.; Davis, Audrey; Dubost, Emmanuelle; Pigree, Gilbert; Lohier, Jean-Francois; Reboul, Vincent; Cailly, Thomas; Bouillon, Jean-Philippe; Millet, Philippe; Fabis, Frederic published an article.Safety of 2-(2-Bromoethyl)isoindoline-1,3-dione The title of the article was Design of iodinated radioligands for SPECT imaging of central human 5-HT4R using a ligand lipophilicity efficiency approach. And the article contained the following:

A series of iodinated ligands for the SPECT imaging of 5-HT4 receptors was designed starting from the previously reported hit MR-26132. We focused on the modulation of the piperidine-containing lateral chain by introducing hydrophilic groups in order to decrease the lipophilicity of the new ligands. All the synthesized compounds were tested for their binding affinities on 5-HT4Rs and based on the Ligand Lipophilicity Efficiency approach, compound 13 was further selected for radioiodination with iodine-125 and imaging experiments Compound 13 showed its ability to displace the specific signal of the reference compound [125I]SB-207710 but no significant detection of [125I]13 was observed in vivo in SPECT experiments The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).Safety of 2-(2-Bromoethyl)isoindoline-1,3-dione

The Article related to iodinated radioligand preparation spect imaging 5ht4 receptor lipophilicity, 5-ht(4), lle, radio-iodination, spect imaging, serotonin, Placeholder for records without volume info and other aspects.Safety of 2-(2-Bromoethyl)isoindoline-1,3-dione

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On May 5, 2022, Sblano, Sabina; Cerchia, Carmen; Laghezza, Antonio; Piemontese, Luca; Brunetti, Leonardo; Leuci, Rosalba; Gilardi, Federica; Thomas, Aurelien; Genovese, Massimo; Santi, Alice; Tortorella, Paolo; Paoli, Paolo; Lavecchia, Antonio; Loiodice, Fulvio published an article.Electric Literature of 2567-29-5 The title of the article was A chemoinformatics search for peroxisome proliferator-activated receptors ligands revealed a new pan-agonist able to reduce lipid accumulation and improve insulin sensitivity. And the article contained the following:

The peroxisome proliferator-activated receptors (PPARs) are nuclear receptors involved in the regulation of the metabolic homeostasis and therefore represent valuable therapeutic targets for the treatment of metabolic diseases. The development of more balanced drugs interacting with PPARs, devoid of the side-effects showed by the currently marketed PPARγ full agonists, is considered the major challenge for the pharmaceutical companies. Here we present a chemoinformatics search approach for new ligands that let us identify a novel PPAR pan-agonist with a very attractive activity profile being able to reduce lipid accumulation and improve insulin sensitivity. This compound represents, therefore, the potential lead of a new class of drugs for treatment of dyslipidemic type 2 diabetes. The experimental process involved the reaction of 4-(Bromomethyl)-1,1′-biphenyl(cas: 2567-29-5).Electric Literature of 2567-29-5

The Article related to ppar pan agonist glucose uptake chemoinformatic docking, chemoinformatics search, docking experiments, glucose uptake, ppar pan-agonist, Placeholder for records without volume info and other aspects.Electric Literature of 2567-29-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary