Tag: 200-300

Dual inhibition of Kif15 by oxindole and quinazolinedione chemical probes was written by Dumas, Megan E.;Chen, Geng-Yuan;Kendrick, Nicole D.;Xu, George;Larsen, Scott A.;Jana, Somnath;Waterson, Alex G.;Bauer, Joshua A.;Hancock, William;Sulikowski, Gary A.;Ohi, Ryoma. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2019.Product Details of 108940-96-1 This article mentions the following:

The mitotic spindle is a microtubule-based machine that segregates a replicated set of chromosomes during cell division. Many cancer drugs alter or disrupt the microtubules that form the mitotic spindle. Microtubule-dependent mol. motors that function during mitosis are logical alternative mitotic targets for drug development. Eg5 (Kinesin-5) and Kif15 (Kinesin-12), in particular, are an attractive pair of motor proteins, as they work in concert to drive centrosome separation and promote spindle bipolarity. Furthermore, we hypothesize that the clin. failure of Eg5 inhibitors may be (in part) due to compensation by Kif15. In order to test this idea, we screened a small library of kinase inhibitors and identified GW108X, an oxindole that inhibits Kif15 in vitro. We show that GW108X has a distinct mechanism of action compared with a com. available Kif15 inhibitor, Kif15-IN-1 and may serve as a lead with which to further develop Kif15 inhibitors as clin. relevant agents. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Product Details of 108940-96-1).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. 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.Product Details of 108940-96-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Copper-catalyzed annulation of 2-bromobenzoic esters with terminal alkynes towards 3-substituted isocoumarins was written by Sun, Mengli;Su, Lebin;Dong, Jianyu;Liu, Long;Zhou, Yongbo;Yin, Shuang-Feng. And the article was included in Tetrahedron Letters in 2017.Recommanded Product: Methyl 2-bromo-4-fluorobenzoate This article mentions the following:

An efficient method for the synthesis of 3-substituted isocoumarins that are an important class of biol. active scaffolds via annulation of 2-bromobenzoic esters with terminal alkynes using copper catalyst was described. The advantages of this method included mild reaction conditions, high yield and regioselectivity, and wide tolerance toward functional groups. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Recommanded Product: Methyl 2-bromo-4-fluorobenzoate).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) 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. 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.Recommanded Product: Methyl 2-bromo-4-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design, Synthesis, and Fungicidal Evaluation of Novel Pyrazole-furan and Pyrazole-pyrrole Carboxamide as Succinate Dehydrogenase Inhibitors was written by Yao, Ting-Ting;Xiao, Dou-Xin;Li, Zhong-Shan;Cheng, Jing-Li;Fang, Shao-Wei;Du, Yong-Jun;Zhao, Jin-Hao;Dong, Xiao-Wu;Zhu, Guo-Nian. And the article was included in Journal of Agricultural and Food Chemistry in 2017.Synthetic Route of C7H8BrNO2 This article mentions the following:

The identification of novel succinate dehydrogenase (SDH) inhibitors represents one of the most attractive directions in the field of fungicide research and development. During our continuous efforts to pursue inhibitors belonging to this class, some structurally novel pyrazole-furan carboxamide and pyrazole-pyrrole carboxamide derivatives have been discovered via the introduction of scaffold hopping and bioisosterism to compound (I), a remarkably potent lead obtained by pharmacophore-based virtual screening. As a result of the evaluation against three destructive fungi, including Sclerotinia sclerotiorum, Rhizoctonia solani, and Pyricularia grisea, a majority of them displayed potent fungicidal activities. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3Synthetic Route of C7H8BrNO2).

Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3) 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 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 C7H8BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kinetic studies of mammalian and microbial cholesterol esterases in homogeneous aqueous solutions was written by Lynn, K. R.;Chuaqui, C. A.;Clevette-Radford, N. A.. And the article was included in Bioorganic Chemistry in 1982.Application of 35065-86-2 This article mentions the following:

The kinetics of 1 microbial and 2 mammalian (bovine and porcine pancreatic) cholesterol esterase have been examined using a variety of aryl acetates in homogeneous solution The mammalian enzymes behaved identically but differed somewhat from that of microbial origin. Electronic and hydrophobic substrate characteristics had no effect on enzyme activity. Taurocholic acid was without effect on the microbial enzyme; at low concentrations it inhibited the mammalian enzyme, but when present in millimolar amounts notable increases in rate were discerned, attributable to the detergent effect on the enzyme. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Application of 35065-86-2).

3-Bromophenyl acetate (cas: 35065-86-2) 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. 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.Application of 35065-86-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Palladium-Catalyzed Directed meta-Selective C-H Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates was written by Achar, Tapas Kumar;Zhang, Xinglong;Mondal, Rahul;Shanavas, M. S.;Maiti, Siddhartha;Maity, Sabyasachi;Pal, Nityananda;Paton, Robert S.;Maiti, Debabrata. And the article was included in Angewandte Chemie, International Edition in 2019.SDS of cas: 14425-64-0 This article mentions the following:

Palladium(II)-catalyzed meta-selective C-H allylation of arenes RC₆H₄(CH₂)_nXR¹ [R = H, 3-Me, 3-Br, 4-F, etc.; R¹ = 2-(pyrimidin-5-yl)phenoxy, 2-(pyridin-3-yl)phenoxy, 2-(8-nitroquinolin-3-yl)phenoxy, etc.; X = SO₂, C(O), Si(i-Pr)₂, CH₂; n = 1-4] including 2-(pyrimidin-5-yl)phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has been developed utilizing synthetically inert unactivated acyclic internal olefins R²CH₂CH=CHCH₂R³ [R² = Me, Et, n-Pr, pentyl, etc.; R³ = Me, COOMe, [[(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy]carbonyl, etc.] as allylic surrogates. The strong σ-donating and π-accepting ability of pyrimidine-based directing group facilitates the olefin insertion by overcoming inertness of the typical unactivated internal olefins. Exclusive allyl over styrenyl products, e.g., (E)-I selectivity as well as E stereoselectivity were achieved with broad substrate scope, wide functional-group tolerance, and good to excellent yields. Late-stage functionalizations of pharmaceuticals were demonstrated. Exptl. and computational studies shed light on the mechanism and point to key steric control in the palladacycle, thus determining product selectivities. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0SDS of cas: 14425-64-0).

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Selective CO₂ Reduction to Ethylene Using Imidazolium-Functionalized Copper was written by Cheng, Banggui;Du, Jiehao;Yuan, Huiqing;Tao, Yuan;Chen, Ya;Lei, Jingxiang;Han, Zhiji. And the article was included in ACS Applied Materials & Interfaces in 2022.Computed Properties of C12H7BrN2 This article mentions the following:

Electrochem. CO₂ reduction is a promising approach to obtain sustainable chems. in energy conversion. Improving the selectivity of CO₂ reduction toward a particular C₂ product such as ethylene remains a significant challenge. Herein, we report a series of imidazolium hexafluorophosphate compounds as surface modifiers for planar Cu foils to boost the Faradaic efficiency (FE) of ethylene from 5 to 73%, which is among the highest reported using polycrystalline Cu. The modified electrodes are convenient to prepare The structure-function study demonstrates that varying the alkyl or aromatic substituents on the imidazolium nitrogen atoms has significant effects on the morphol. of the deposited films and the product selectivity of CO₂ reduction Exptl. FE_C≥2, FE_C2H4, ln(FE_C≥2/FE_CH4), and ln(FE_C2H4/FE_C2H5OH) values show generally linear relationships with FE_H2 while using different imidazolium modifiers, suggesting that factors governing proton reduction may also be directly related to both overall C_≥2 generation and ethylene selectivity. This work presents an effective and practical way in tailoring the active sites of metallic surface for selective CO₂ reduction In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Computed Properties of C12H7BrN2).

2-Bromo-1,10-phenanthroline (cas: 22426-14-8) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. 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.Computed Properties of C12H7BrN2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

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