Category: bromides-buliding-blocks

On February 10, 2018, Lovering, Frank; Morgan, Paul; Allais, Christophe; Aulabaugh, Ann; Brodfuehrer, Joanne; Chang, Jeanne; Coe, Jotham; Ding, Wei Dong; Dowty, Heather; Fleming, Margaret; Frisbie, Richard; Guzova, Julia; Hepworth, David; Jasti, Jayasankar; Kortum, Steve; Kurumbail, Ravi; Mohan, Shashi; Papaioannou, Nikolaos; Strohbach, Joseph W.; Vincent, Fabien; Lee, Katherine; Zapf, Christoph W. published an article.Computed Properties of 39503-58-7 The title of the article was Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. And the article contained the following:

Many diseases are believed to be driven by pathol. levels of reactive oxygen species (ROS) and oxidative stress has long been recognized as a driver for inflammatory disorders. Apoptosis signal-regulating kinase 1 (ASK1) has been reported to be activated by intracellular ROS and its inhibition leads to a down regulation of p38-and JNK-dependent signaling. Consequently, ASK1 inhibitors may have the potential to treat clin. important inflammatory pathologies including renal, pulmonary and liver diseases. Anal. of the ASK1 ATP-binding site suggested that Gln756, an amino acid that rarely occurs at the GK+2 position, offered opportunities for achieving kinase selectivity for ASK1 which was applied to the design of a parallel medicinal chem. library that afforded inhibitors of ASK1 with nanomolar potency and excellent kinome selectivity. A focused optimization strategy utilizing structure-based design resulted in the identification of ASK1 inhibitors with low nanomolar potency in a cellular assay, high selectivity when tested against kinase and broad pharmacol. screening panels, and attractive physicochem. properties. The compounds we describe are attractive tool compounds to inform the therapeutic potential of ASK1 inhibition. The experimental process involved the reaction of Methyl 5-bromo-2-methoxy-4-methylbenzoate(cas: 39503-58-7).Computed Properties of 39503-58-7

The Article related to benzamide synthesis apoptosis ask1, Pharmacology: Structure-Activity and other aspects.Computed Properties of 39503-58-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On December 7, 2006, Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B. published an article.Safety of (6-Bromohexyl)triphenylphosphonium bromide The title of the article was Phosphonioalkylthiosulfate zwitterions-new masked thiol ligands for the formation of cationic functionalised gold nanoparticles. And the article contained the following:

The authors report the synthesis and structural characterization of a new family of stable phosphonioalkylthiosulfate zwitterions, R3P+(CH2)nS2O3- (R = Ph or Bu, n = 3,4,6, 8 or 10) which behave as cationic masked thiolate ligands with applications in the functionalization of gold nanoparticles, having potential as new diagnostic biorecognition systems. The ligands were prepared by treatment of ω-bromoalkylphosphonium salts with sodium thiosulfate. The crystal and mol. structures of the zwitterions (R = Ph, n = 3) and (R = Bu, n = 3) were determined A series of phosphonioalkanethiolate-capped gold nanoparticles dispersed in water was prepared by borohydride reduction of potassium tetrachloroaurate in the presence of the zwitterions in a dichloromethane-water system. UV-visible spectroscopy and scanning transmission electron-microscopy indicated that capped nanoparticles of ∼5 nm diameter were present. The experimental process involved the reaction of (6-Bromohexyl)triphenylphosphonium bromide(cas: 83152-22-1).Safety of (6-Bromohexyl)triphenylphosphonium bromide

The Article related to phosphonioalkylthiosulfate zwitterion masked thiol ligand cationic functionalized gold nanoparticle, Biochemical Methods: Apparatus and other aspects.Safety of (6-Bromohexyl)triphenylphosphonium bromide

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 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 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 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

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 January 15, 2021, Falkowski, Michal; Kucinska, Malgorzata; Piskorz, Jaroslaw; Wieczorek-Szweda, Ewelina; Popenda, Lukasz; Jurga, Stefan; Sikora, Adam; Mlynarczyk, Dariusz T.; Murias, Marek; Marszall, Michal P.; Goslinski, Tomasz published an article.Related Products of 574-98-1 The title of the article was Synthesis of sulfanyl porphyrazines with bulky peripheral substituents – Evaluation of their photochemical properties and biological activity. And the article contained the following:

Alkylation reaction of dimercaptomaleonitrile disodium salt with N-(2-bromoethyl)phthalimide in N,N-dimethylformamide, and potassium carbonate led to novel maleonitrile derivative This compound was used in the Linstead tetramerization reaction in n-butanol in the presence of magnesium n-butoxide towards magnesium(II) sulfanyl porphyrazine with phthalimide peripheral substituents. Its demetallation and subsequent zinc(II) ion insertion led to zinc(II) sulfanyl porphyrazine derivative All obtained compounds were thoroughly characterized using UV-vis, MS, and 1H and 13C NMR spectroscopy. The purity of macrocycles was assessed using HPLC. Novel sym. porphyrazines were found to generate singlet oxygen in N,N-dimethylformamide and DMSO in low yields. The highest, over 4% yield of singlet oxygen generation, was noted for zinc(II) porphyrazine derivative in DMSO. In the biol. study, the cytotoxicities and photocytotoxicities of sym. sulfanyl porphyrazines with phthalimide peripheral substituents were compared with lately obtained unsym. sulfanyl tribenzoporphyrazine, 22,23-bis[3,5-bis(3,5-dimethoxybenzyloxy)benzylsulfanyl]tribenzo[b,g,l]porphyrazinato magnesium(II). The in vitro study was performed on androgen-sensitive human prostate adenocarcinoma (LNCaP) and human prostate cancer (PC3) cell lines using MTT assay. The data obtained for liposomal formulations containing sulfanyl porphyrazines with phthalimide substituents indicated their low and light-independent cytotoxicity against cancer cells. On the contrary, the sulfanyl tribenzoporphyrazine was studied in its free form and after incorporation in liposomes. In the free form it revealed moderate photocytotoxicity against both cancer cell lines with IC50 values of 7.71 μM and 8.82 μM for LNCaP and PC3 cells, resp. Moreover, the liposomal DOTAP : POPC formulation containing sulfanyl tribenzoporphyrazine revealed over 10-fold higher effectiveness reaching the IC50 up to 0.52 μM against LNCaP cancer cells in comparison to its free form. On the contrary, liposomal PG formulation of sulfanyl tribenzoporphyrazine was found to be inactive on the human cancer cells. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).Related Products of 574-98-1

The Article related to sulfanyl porphyrazine peripheral substituent photochem property biol activity, Placeholder for records without volume info and other aspects.Related Products of 574-98-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

On September 5, 2021, Singh, Ved Prakash; Dowarah, Jayanta; Marak, Brilliant N.; Sran, Balkaran Singh; Tewari, Ashish Kumar published an article.Quality Control of 2-(2-Bromoethyl)isoindoline-1,3-dione The title of the article was Study of the structure-bioactivity of fleximers: synthesis, crystal structure, Hirshfeld surface analysis, and anti-inflammatory assays. And the article contained the following:

Synthesized and natural pyridones/pyridines derivatives exhibiting diverse biol. activities. 2-Pyridone has lactam-lactim tautomerization like thymine and uracil bases. In this study, COX-2 target based series of pyridone/pyridine linked fleximers were designed, synthesized and studied. All analogs binding affinity with COX-2 active site were studied through mol. docking, and anti-inflammatory activity studied by in vivo anal. Weak interactions were studied to find binding sites among analogs through crystal packing, Hirshfeld surface anal. and in silico anal. All the analogs exhibited anti-inflammatory activity, while compound (3) is the most active analog among the series. In contrast, since compound (3) is a pyridine-phthalimide ring-containing analog, the presence of a phthalimide group probably favors anti-inflammatory activity over other types of rings. The results suggested further investigations on compounds as anti-inflammatory prodrugs. 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 pyridone pyridine linked fleximer crystal packing hirshfeld surface analysis, 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 December 31, 2022, Heo, Jinyeong; Koh, Dahae; Woo, Minjeong; Kwon, Doyoon; de Almeida Falcao, Virginia Carla; Wood, Connor; Lee, Honggun; Kim, Kideok; Choi, Inhee; Jang, Jichan; Brodin, Priscille; Shum, David; Delorme, Vincent published an article.COA of Formula: C10H8BrNO2 The title of the article was A combination screening to identify enhancers of para-aminosalicylic acid against Mycobacterium tuberculosis. And the article contained the following:

Para-aminosalicylic acid (PAS) is an antibiotic that was largely used for the multi-therapy of tuberculosis in the twentieth century. To try to overcome the inconvenience of its low efficacy and poor tolerance, we searched for novel chem. entities able to synergize with PAS using a combination screening against growing axenic Mycobacterium tuberculosis. The screening was performed at a sub-inhibitory concentration of PAS on a library of about 100,000 small mols. Selected hit compounds were analyzed by dose-response and further probed with an intracellular macrophage assay. Scaffolds with potential additive effect with PAS are reported, opening interesting prospects for mechanism of action studies. We also report here evidence of a yet unknown bio-activation mechanism, involving activation of pyrido[1,2-a]pyrimidin-4-one (PP) derivatives through the Rv3087 protein. The experimental process involved the reaction of 2-(2-Bromoethyl)isoindoline-1,3-dione(cas: 574-98-1).COA of Formula: C10H8BrNO2

The Article related to mycobacterium tuberculosis paraaminosalicylic acid combination screening, Placeholder for records without volume info and other aspects.COA of Formula: C10H8BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary