Tag: 200-300

Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli was written by Dennis, Matthew L.;Pitcher, Noel P.;Lee, Michael D.;DeBono, Aaron J.;Wang, Zhong-Chang;Harjani, Jitendra R.;Rahmani, Raphael;Cleary, Ben;Peat, Thomas S.;Baell, Jonathan B.;Swarbrick, James D.. And the article was included in Journal of Medicinal Chemistry in 2016.Formula: C8H7BrO2 This article mentions the following:

6-Hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK) is a member of the folate biosynthesis pathway found in prokaryotes and lower eukaryotes that catalyzes the pyrophosphoryl transfer from the ATP cofactor to a 6-hydroxymethyl-7,8-dihydropterin substrate. We report the chem. synthesis of a series of S-functionalized 8-mercaptoguanine (8MG) analogs as substrate site inhibitors of HPPK and quantify binding against the E. coli and S. aureus enzymes (EcHPPK and SaHPPK). The results demonstrate that analogs incorporating acetophenone-based substituents have comparable affinities for both enzymes. Preferential binding of benzyl-substituted 8MG derivatives to SaHPPK was reconciled when a cryptic pocket unique to SaHPPK was revealed by X-ray crystallog. Differential chem. shift perturbation anal. confirmed this to be a common mode of binding for this series to SaHPPK. One compound (41) displayed binding affinities of 120 nM and 1.76 μM for SaHPPK and EcHPPK, resp., and represents a lead for the development of more potent and selective inhibitors of SaHPPK. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Formula: C8H7BrO2).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Formula: C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The O-H out-of-plane deformation in intramolecularly hydrogen bonded phenols was written by Nyquist, R. A.. And the article was included in Spectrochimica Acta in 1963.SDS of cas: 58349-01-2 This article mentions the following:

The O-H out-of-plane deformation fundamental (γ_O-H) occurs in the frequency region 300-860 cm.^-1 in various orthosubstituted phenols studied. The absorption band produced is uniquely broad, and therefore easily assigned. Correlations of γ_O-Σ with ν_O-H and certain chem. parameters were found, and these are useful in explaining the frequency behavior of this vibration. These several characteristics make this vibration useful as a group frequency. In the experiment, the researchers used many compounds, for example, 4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2SDS of cas: 58349-01-2).

4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2) 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. 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.SDS of cas: 58349-01-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Thiol-Functionalized UiO-67-Type Porous Single Crystal: Filling in the Synthetic Gap was written by Wong, Yan-Lung;Diao, Yingxue;He, Jun;Zeller, Matthias;Xu, Zhengtao. And the article was included in Inorganic Chemistry in 2019.Safety of Methyl 4-bromo-2-fluorobenzoate This article mentions the following:

Thiol groups (-SH) offer versatile reactivity for functionalizing metal-organic frameworks, and yet thiol-equipped MOF solids remain underexplored due to synthetic challenges. Building on the recent breakthrough using benzyl mercaptan as the S source and AlCl₃ for uncovering the thiol function, the thiol-equipped linker 3,3′-dimercaptobiphenyl-4,4′-dicarboxylic acid and its reaction with Zr(IV) ions to form a UiO-67-type MOF solid with distinct functionalities is reported. The thiol-equipped UiO-67 scaffold shows substantial stability toward oxidation, e.g., it can be treated with 30% H₂O₂ to afford oxidation of the thiol to the strongly acidic sulfonic function while maintaining the ordered porous MOF structure. The thiol groups also effectively take up Pd(II) ions from solutions to allow for comparative studies on catalytic activities and to help elucidate how the spatial configuration of the thiol groups can be engineered to impact the performance of heterogeneous catalysis in the solid state. Comparative studies on the stability in the solventless (activated) state also help to highlight the steric factor in stabilizing UiO-67-type frameworks. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2Safety of Methyl 4-bromo-2-fluorobenzoate).

Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2) 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. 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.Safety of Methyl 4-bromo-2-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dissipative Assembly of Macrocycles Comprising Multiple Transient Bonds was written by Hossain, Mohammad Mosharraf;Atkinson, Joshua L.;Hartley, C. Scott. And the article was included in Angewandte Chemie, International Edition in 2020.Application of 192810-12-1 This article mentions the following:

Dissipative assembly has great potential for the creation of new adaptive chem. systems. However, while mol. assembly at equilibrium is routinely used to prepare complex architectures from polyfunctional monomers, species formed out of equilibrium have, to this point, been structurally very simple. In most examples the fuel simply effects the formation of a single short-lived covalent bond. Herein, we show that chem. fuels can assemble bifunctional components into macrocycles containing multiple transient bonds. Specifically, dicarboxylic acids give aqueous dianhydride macrocycles on treatment with a carbodiimide. The macrocycles are assembled efficiently as a consequence of both fuel-dependent and fuel-independent mechanisms; they undergo slower decomposition, building up as the fuel recycles the components, and are a favored product of the dynamic exchange of the anhydride bonds. These results create new possibilities for generating structurally sophisticated out-of-equilibrium species. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-5-hydroxybenzoate (cas: 192810-12-1Application of 192810-12-1).

Methyl 3-bromo-5-hydroxybenzoate (cas: 192810-12-1) 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–bromine bond is electrophilic in nature. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Application of 192810-12-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pd/C-Catalyzed Hydrogenolysis of Dibenzodioxocin Lignin Model Compounds Using Silanes and Water as Hydrogen Source was written by Subbotina, Elena;Galkin, Maxim V.;Samec, Joseph S. M.. And the article was included in ACS Sustainable Chemistry & Engineering in 2017.Application of 14425-64-0 This article mentions the following:

A mild Pd/C-catalyzed hydrogenolysis of the C-O bond of model compounds representing the dibenzodioxocin motif in lignin using polymethylhydrosiloxane (PMHS) and water as hydrogen sources was developed. The efficiency of the reaction is highly dependent on both water concentration and the addition of a base. The results from mechanistic studies showed that the benzylic C-O bond is cleaved faster than the terminal C-O bond, which only cleaves upon the presence of the neighboring phenol. We propose a hydrogen bond formation between an oxygen atom of an ether group and a proton of a neighboring phenol under the employed mild reaction conditions, which facilitates cleavage of the C-O bond. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Application of 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.Application of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and biological activity of novel 2,5-disubstituted-1,3,4-oxadiazoles was written by Shailaja, M.;Anitha, M.;Manjula, A.;Rao, B. Vittal. And the article was included in Indian Journal of Chemistry in 2010.Electric Literature of C8H6BrFO2 This article mentions the following:

A new mol. framework of 1,3,4-oxadiazoles incorporating halopyridines was synthesized. The derivatives were synthesized starting from (pyridinyloxy)benzaldehydes, by conversion into the corresponding aroyl hydrazides followed by oxidative cyclization to the title compounds using chloramine-T. The 2,5-disubstituted 1,3,4-oxadiazoles were tested for antimicrobial activity. Many compounds showed a high degree of activity against Staphylococcus aureus and Escherichia coli at 250 μg/mL. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Electric Literature of C8H6BrFO2).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) 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.Electric Literature of C8H6BrFO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of two photolabile benzyl manganese derivatives incorporating a geometrically inaccessible radical trap was written by Keana, John F. W.;Pou, Sovitj. And the article was included in Organic Preparations and Procedures International in 1989.Quality Control of 3-(Bromomethyl)benzoic acid This article mentions the following:

Synthesis of 2 title compounds I and II are described. Oxidation of 3,5-(BrCH₂)₂C₆H₃CO₂Me with (Bu₄N)₂Cr₂O₇ in CHCl₃ gave 31% monoformylated derivative which on 2 stepwise condensations with Me₃CNHOH and NaMn(CO)₅ gave I. Chlorination of 3-BrCH₂C₆H₄CO₂H with SOCl₂ followed by 2 stepwise condensations with 2,2,6,6-tetramethyl-4-amino-1-piperidinyloxy and MeMn(CO)₅ gave II. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Quality Control of 3-(Bromomethyl)benzoic acid).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) 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. 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.Quality Control of 3-(Bromomethyl)benzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Self-Healing Heterometallic Supramolecular Polymers Constructed by Hierarchical Assembly of Triply Orthogonal Interactions with Tunable Photophysical Properties was written by Zhang, Qian;Tang, Danting;Zhang, Jinjin;Ni, Ruidong;Xu, Luonan;He, Tian;Lin, Xiongjie;Li, Xiaopeng;Qiu, Huayu;Yin, Shouchun;Stang, Peter J.. And the article was included in Journal of the American Chemical Society in 2019.Application of 108940-96-1 This article mentions the following:

Here, the authors present a method for the building of new bicyclic heterometallic cross-linked supramol. polymers by hierarchical unification of three types of orthogonal noncovalent interactions, including Pt(II)-pyridine coordination-driven self-assembly, Zn-terpyridine complex, and host-guest interactions. The Pt-pyridine coordination provides the primary driving force to form discrete rhomboidal metallacycles. The assembly does not interfere with the Zn-terpyridine complexes, which link the discrete metallacycles into linear supramol. polymers, and the conjugation length is extended upon the formation of the Zn-terpyridine complexes, which red shifts the absorption and emission spectra. Finally, host-guest interactions via bis-ammonium salt binding to the benzo-21-crown-7 (B21C7) groups on the Pt acceptors afford the cross-linked supramol. polymers. By continuous increase of the concentration of the supramol. polymer to a relatively high level, supramol. polymer gel was obtained, which exhibits self-healing properties and reversible gel-sol transitions stimulated by various external stimuli, including temperature, K⁺, and cyclen. Also, the photophys. properties of the supramol. polymers could be effectively tuned by varying the substituents of the precursor ligands. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Application of 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Application of 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A General Catalyst for Site-Selective C(sp³)-H Bond Amination of Activated Secondary over Tertiary Alkyl C(sp³)-H Bonds was written by Scamp, Ryan J.;Jirak, James G.;Dolan, Nicholas S.;Guzei, Ilia A.;Schomaker, Jennifer M.. And the article was included in Organic Letters in 2016.Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene This article mentions the following:

The discovery of transition metal complexes capable of promoting general, catalyst-controlled and selective carbon-hydrogen (C-H) bond amination of activated secondary C-H bonds over tertiary alkyl C(sp³)-H bonds is challenging, as substrate control often dominates when reactive nitrene intermediates are involved. In this letter, we report the design of a new silver complex, [(Py₅Me₂)AgOTf]₂, that displays general and good-to-excellent selectivity for nitrene insertion into propargylic, benzylic, and allylic C-H bonds over tertiary alkyl C(sp³)-H bonds. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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). 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.Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of potent, non-carbonyl inhibitors of fatty acid amide hydrolase (FAAH) was written by Gowlugari, Sumithra;DeFalco, Jeff;Nguyen, Margaret T.;Kaub, Carl;Chi, Candace;Duncton, Matthew A. J.;Emerling, Daniel E.;Kelly, Michael G.;Kincaid, John;Vincent, Fabien. And the article was included in MedChemComm in 2012.Electric Literature of C9H11BrO This article mentions the following:

Fatty acid amide hydrolase (FAAH) inhibition is a promising target for the treatment of pain, anxiety and depression. The vast majority of FAAH inhibitors contain an electrophilic moiety and are known to react covalently with the enzyme. Herein we present the discovery of potent inhibitors, such as RN-450 29, which are based upon a novel tetrahydropyridopyridine scaffold lacking an obvious electrophilic site, and which appear to inhibit FAAH in a reversible and non-covalent manner. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Electric Literature of C9H11BrO).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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.Electric Literature of C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary