Tag: 200-300

Design, synthesis, and structure-activity relationship studies of novel thienopyrrolidone derivatives with strong antifungal activity against Aspergillus fumigates was written by Cao, Xufeng;Xu, Yuanyuan;Cao, Yongbing;Wang, Ruilian;Zhou, Ran;Chu, Wenjing;Yang, Yushe. And the article was included in European Journal of Medicinal Chemistry in 2015.Product Details of 38239-45-1 This article mentions the following:

In order to further enhance the anti-Aspergillus efficacy of our previously discovered antifungal lead compounds, two series of novel azoles I [ R¹ = Ph, 4-pyridyl, 2-CN-5-pyridyl, etc.]and II [R¹ = Ph, 4-Me-C₆H₄, 4-F-C₆H₄, etc.], featuring thieno[2,3-c]pyrrolidone and thieno[3,2-c]pyrrolidone nuclei were designed and evaluated for their in vitro activity on the basis of the binding mode of albaconazole using mol. docking, along with SARs of antifungal triazoles. Most of target compounds exhibited excellent activity against Candida and Cryptococcus spp., with MIC values in the range of 0.0625 婵炴挾鎸?mL to 0.0156 婵炴挾鎸?mL. The thieno[3,2-c]pyrrolidone unit was more suited for improving activity against Aspergillus spp. The most potent compound, II [R¹ = Br], was selected for further development due to its significant in vitro activity against Aspergillus spp. (MIC = 0.25 婵炴挾鎸?mL), as well as its high metabolic stability in human liver microsomes. In the experiment, the researchers used many compounds, for example, 5-Bromo-3-methylthiophene-2-carboxylic acid (cas: 38239-45-1Product Details of 38239-45-1).

5-Bromo-3-methylthiophene-2-carboxylic acid (cas: 38239-45-1) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Product Details of 38239-45-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM was written by Park, Kaapjoo;Lee, Byoung Moon;Hyun, Kwan Hoon;Han, Taedong;Lee, Dong Hoon;Choi, Hyun Ho. And the article was included in ACS Medicinal Chemistry Letters in 2015.Related Products of 192810-12-1 This article mentions the following:

Novel acetylenyl-containing benzamide derivatives were synthesized and screened using an in vitro assay measuring increases in glucokinase activity stimulated by 10 mM glucose concentration and glucose uptake in rat hepatocytes. Lead optimization of an acetylenyl benzamide series led to the discovery of several active compounds via in vitro enzyme assays (EC₅₀ < 40 nM) and in vivo OGTT assays (AUC reduction > 40% at 50 mg/kg). Of the active compounds tested, 3-(3-amino-phenylethynyl)-5-(2-methoxy-1-methyl-ethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-benzamide I was identified as a potent glucokinase activator exhibiting an EC₅₀ of 27 nM and eliciting a 2.16-fold increase in glucose uptake. Compound I caused a glucose AUC reduction of 47.4% (30 mg/kg) in an OGTT study in C57BL/6J mice compared to 22.6% for sitagliptin (30 mg/kg). Single treatment of compound I in C57BL/6J mice elicited basal glucose lowering activity without any significant evidence for hypoglycemia risk. Compound I was therefore selected as a candidate for further preclin. development for the treatment of type 2 diabetes. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-5-hydroxybenzoate (cas: 192810-12-1Related Products of 192810-12-1).

Methyl 3-bromo-5-hydroxybenzoate (cas: 192810-12-1) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Related Products of 192810-12-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Catalytic asymmetric reductive hydroalkylation of enamides and enecarbamates to chiral aliphatic amines was written by Wang, Jia-Wang;Li, Yan;Nie, Wan;Chang, Zhe;Yu, Zi-An;Zhao, Yi-Fan;Lu, Xi;Fu, Yao. And the article was included in Nature Communications in 2021.Electric Literature of C13H14BrNO2 This article mentions the following:

A mild and general nickel-catalyzed asym. reductive hydroalkylation effectively converted to enamides and enecarbamates into drug-like 濞?branched chiral amines was reported. This reaction involved the regio- and stereoselective hydrometallation of an enamide or enecarbamate to generated a catalytic amount of enantioenriched alkylnickel intermediate, followed by C-C bond formation via alkyl electrophiles. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Electric Literature of C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Electric Literature of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lithioarene Cycliacylation and Pd-Catalyzed Aminoethylation/Cyclization to Access Electronically Diverse Saturated Isoquinoline Derivatives was written by Buchman, Marek;Farney, Elliot P.;Greszler, Stephen N.;Altenbach, Robert J.;Gfesser, Gregory A.;Voight, Eric A.. And the article was included in Journal of Organic Chemistry in 2022.Application of 85118-24-7 This article mentions the following:

Authors report operationally facile methods for the synthesis of substituted dihydroisoquinolinones and tetrahydroisoquinolines from readily accessible o-bromobenzyl bromides and o-bromobenzaldehydes, resp. While classical electrophilic aromatic substitution reactions are tailored to the construction of saturated isoquinolines derived from electron-rich precursors, authors demonstrate efficient syntheses from electronically diverse substrates to produce cyclized products as single regioisomers. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Application of 85118-24-7).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Application of 85118-24-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Targeting the Heat Shock Protein 90 Dimer with Dimeric Inhibitors was written by Kusuma, Bhaskar Reddy;Peterson, Laura B.;Zhao, Huiping;Vielhauer, George;Holzbeierlein, Jeffrey;Blagg, Brian S. J.. And the article was included in Journal of Medicinal Chemistry in 2011.Safety of Methyl 3-bromo-4-fluorobenzoate This article mentions the following:

The design, synthesis, and biol. evaluation of conformationally constrained coumermycin A1 analogs are reported. Compounds were evaluated against both breast cancer (SKBr3 and MCF7) and prostate cancer (PC3 mm2, A549, and HT29) cell lines. Non-noviosylated coumermycin A1 analogs that manifest potent antiproliferative activity resulting from Hsp90 inhibition are provided, wherein replacement of the stereochem. complex noviose sugar with readily available piperidine rings resulted in 闂?100 fold increase in antiproliferative activities as compared to coumermycin A1, producing small mol. Hsp90 inhibitors that exhibit nanomolar activities. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6Safety of Methyl 3-bromo-4-fluorobenzoate).

Methyl 3-bromo-4-fluorobenzoate (cas: 82702-31-6) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Safety of Methyl 3-bromo-4-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sigma donor and pi acceptor characteristics of certain NN-bidentate ligands: a DFT Study was written by Maqsood, Syed Raashid;Islam, Nasarul;Bashir, Shabnum;Khan, Badruddin;Pandith, Altaf Hussain. And the article was included in Journal of Coordination Chemistry in 2013.Application In Synthesis of 2-Bromo-1,10-phenanthroline This article mentions the following:

Metal ion binding affinity of three NN bidentate ligands in terms of simple parameters of the conceptual d. functional theory is reported. Role of ligand framework for chelate stabilization for ethylenediamine (en) bipyridyl (bpy), and 1,10 phenanthroline (phen) is quantified on the basis of NCCN dihedral angle (闁? and N-N spatial distance. We find that the sigma (闁? donor character of three NN-bidentate ligands follow the order phen < bpy < en, which is quit opposite to their exptl. observed stability constant data. However, the overall binding affinity order is correlative with the chelate stabilization and pi back acceptance characteristics; thereby explaining the exptl. stability order. We also studied the effect of some electron donating and electron withdrawing substituents on the sigma bonding affinity and pi (闁? bonding behavior of the various substituted phen derivatives The overall binding affinity of these derivatives was correlated on the basis of electrophilicity index (闁?. 闁?Donor character for the ligands was observed to vary in the order NH₂ > Ph > OH > CH₃ > H > Br > Cl > COOH > NO₂ for the substitution at 2 and 9 positions. The trend was found in synergism with their Ortho, Para directing efficiencies. In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Application In Synthesis of 2-Bromo-1,10-phenanthroline).

2-Bromo-1,10-phenanthroline (cas: 22426-14-8) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Application In Synthesis of 2-Bromo-1,10-phenanthroline

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Introduction of Cyclopropyl and Cyclobutyl Ring on Alkyl Iodides through Cobalt-Catalyzed Cross-Coupling was written by Andersen, Claire;Ferey, Vincent;Daumas, Marc;Bernardelli, Patrick;Guerinot, Amandine;Cossy, Janine. And the article was included in Organic Letters in 2019.Category: bromides-buliding-blocks This article mentions the following:

A cobalt-catalyzed cross-coupling between alkyl iodides and cyclopropyl, cyclobutyl, and alkenyl Grignard reagents is disclosed. The reaction allows the introduction of strained rings on a large panel of primary and secondary alkyl iodides. The catalytic system is simple and nonexpensive, and the reaction is general, chemoselective, and diastereoconvergent. The alkene resulting from the cross-coupling can be transformed to substituted cyclopropanes using a Simmons-Smith reaction. The formation of radical intermediates during the coupling is hypothesized. In the experiment, the researchers used many compounds, for example, 1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3Category: bromides-buliding-blocks).

1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Intramolecular trans-Dicarbofunctionalization of Alkynes by a Formal anti-Carbopalladation/Stille Cascade was written by Milde, Bastian;Reding, Andreas;Geffers, Finn J.;Jones, Peter G.;Werz, Daniel B.. And the article was included in Chemistry – A European Journal in 2016.Synthetic Route of C7H5Br2F This article mentions the following:

An intramol. Pd-catalyzed trans-dicarbofunctionalization of internal alkynes using aryl bromides and aryl stannanes was presented. Tetrasubstituted double bonds embedded in an oligocyclic ring system were obtained in a regio- and diastereoselective fashion. The transformation featured a broad substrate scope and functional-group tolerance. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Synthetic Route of C7H5Br2F).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon闁艰京鐗梤omine bond is electrophilic in nature. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Synthetic Route of C7H5Br2F

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cyanine Borate Salts that Form Penetrated Ion Pairs in Benzene Solution: Synthesis, Properties, and Structure was written by Murphy, Sean;Yang, Xiquiang;Schuster, Gary B.. And the article was included in Journal of Organic Chemistry in 1995.Reference of 162258-89-1 This article mentions the following:

A series of cyanine borate salts were prepared and studied by laser spectroscopy, fluorescence spectroscopy, NMR spectral methods, and computer modeling. Anal. of the chem., phys., and spectral properties of these salts shows that, in benzene solution, they form penetrated ion pairs. The center-to-center distance between the ions is less than the sum of the individual ionic radii. We call such structures penetrated ion pairs. Penetration affects the properties of the cyanine dyes in unique ways that are described. In the experiment, the researchers used many compounds, for example, 4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1Reference of 162258-89-1).

4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Reference of 162258-89-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors was written by Connelly, Stephen;Mortenson, David E.;Choi, Sungwook;Wilson, Ian A.;Powers, Evan T.;Kelly, Jeffery W.;Johnson, Steven M.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2017.SDS of cas: 108940-96-1 This article mentions the following:

Rate-limiting dissociation of the tetrameric protein transthyretin (TTR), followed by monomer misfolding and misassembly, appears to cause degenerative diseases in humans known as the transthyretin amyloidoses, based on human genetic, biochem. and pharmacol. evidence. Small mols. that bind to the generally unoccupied thyroxine binding pockets in the native TTR tetramer kinetically stabilize the tetramer, slowing subunit dissociation proportional to the extent that the mols. stabilize the native state over the dissociative transition state-thereby inhibiting amyloidogenesis. Herein, the authors use previously reported structure-activity relationship data to develop two semi-quant. algorithms for identifying the structures of potent and selective transthyretin kinetic stabilizers/amyloidogenesis inhibitors. The viability of these prediction algorithms, in particular the more robust in silico docking model, is perhaps best validated by the clin. success of tafamidis, the first-in-class drug approved in Europe, Japan, South America, and elsewhere for treating transthyretin aggregation-associated familial amyloid polyneuropathy. Tafamidis is also being evaluated in a fully-enrolled placebo-controlled clin. trial for its efficacy against TTR cardiomyopathy. These prediction algorithms will be useful for identifying second generation TTR kinetic stabilizers, should these be needed to ameliorate the central nervous system or ophthalmol. pathol. caused by TTR aggregation in organs not accessed by oral tafamidis administration. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1SDS of cas: 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.SDS of cas: 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary