Author: Jessica.F

Hintz, Sandra published the artcileRegio- and stereoselective cyclization reactions of unsaturated silyl enol ethers by photoinduced electron transfer. Mechanistic aspects and synthetic approach, Product Details of C7H13BrSi, the publication is European Journal of Organic Chemistry (1998), 1583-1596, database is CAplus.

Oxidative photoinduced electron transfer (PET) reactions were performed with various silyl enol ethers and silyloxy-2H-chromones bearing an olefinic or silylacetylenic side-chain. The reactions result in regioselective ring-closure with the formation of bi- to tetracyclic ring systems with a well-defined ring juncture, e.g. perhydrophenanthrenones or benzo-annelated xanthenones. Our investigations have focussed on the optimization of this cyclization method with regard to irradiation time and product yield. The irradiation times could be reduced by using the cosensitized PET method. Modifying the substrate at the silyl group led to enhanced yields. In addition, it was found that solvent and pressure dependences are important tools, allowing control of the regiochem. Both the synthesis of 6-endo products by radical cationic reaction pathways as well as 5-exo ring-closure by radical intermediates was achieved. Mechanistic details, including findings from deuterium labeling experiments, are discussed.

European Journal of Organic Chemistry published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Product Details of C7H13BrSi.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Negishi, Eiichi published the artcileSelective carbon-carbon bond formation via transition metal catalysis. 35. A convenient synthesis of unsymmetrical bibenzyls, homoallylarenes, and homopropargylarenes via palladium-catalyzed cross coupling, Name: (4-Bromobut-1-yn-1-yl)trimethylsilane, the publication is Tetrahedron Letters (1983), 24(36), 3823-4, database is CAplus.

The Pd-catalyzed homobenzyl-aryl, homobenzyl-alkenyl, homoallyl-aryl, and homopropargyl-aryl cross coupling reactions provide the desired coupling products, 2-MeC₆H₄CH₂CH₂Ph, (E)-PhCH₂CH₂CH:CMe(CH₂)₅Me, 4-NCC₆H₄CH₂CH₂CH:CH₂, Me₃SiCCCH₂CH₂Ph, in high yields. Similar reactions involving alkynyl halides lead to low product yields.

Tetrahedron Letters published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Name: (4-Bromobut-1-yn-1-yl)trimethylsilane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zang, Yu published the artcileSynthesis and Oxygen Permeation of Well-Defined Multistranded Copolymers from Monomers Having Two Different Polymerizable Groups, Synthetic Route of 143-15-7, the publication is Macromolecules (Washington, DC, United States) (2022), 55(13), 5699-5710, database is CAplus.

Four multistranded copolymers were synthesized by two-step selective polymerization of monomers having an acetylene and two olefins. Their second main chains, which were formed at the postpolymn. between the olefin groups in the template acetylene polymers, are categorized into two types, i.e., helical conformations along with the conformations of their template helical polymers and nonhelical conformations parallel to the direction of the main chain of their precursor polymers. The numbers of the strands are two, four, and seven when supramol. strands by hydrogen bonds are included. Since the copolymers were all soluble, they could be fully characterized and fabricated to self-standing membranes. The conversions of the postpolymns. were high. The degree of the postpolymn. could be controlled by changing conditions. Oxygen permselectivies of these multistranded copolymers were better than the corresponding template polymers. The more the number of the strands was, the higher their oxygen permselectivity showed.

Macromolecules (Washington, DC, United States) published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C7H16Cl2Si, Synthetic Route of 143-15-7.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Perera, Tharushi A. published the artcilePhotoreduction of Pt(IV) Chloro Complexes: Substrate Chlorination by a Triplet Excited State, Formula: C6H12Br2, the publication is Inorganic Chemistry (2014), 53(14), 7608-7621, database is CAplus and MEDLINE.

The Pt(IV) complexes trans-Pt(PEt₃)₂(Cl)₃(R) (2; R = Cl, Ph, 9-phenanthryl, 2-trifluoromethylphenyl, 4-trifluoromethylphenyl, 3-perylenyl) were prepared by chlorination of the Pt(II) complexes trans-Pt(PEt₃)₂(R)(Cl) (1) with Cl₂ gas or PhICl₂. Mixed bromo-chloro complexes trans,trans-Pt(PEt₃)₂(Cl)₂(Br)(R) (R = 9-phenanthryl, 4-trifluoromethylphenyl), trans,cis-Pt(PEt₃)₂(Cl)₂(Br)(4-trifluoromethylphenyl), trans,trans-Pt(PEt₃)₂(Br)₂(Cl)(R) (R = 9-phenanthryl), and trans,cis-Pt(PEt₃)₂(Br)₂(Cl)(4-trifluoromethylphenyl) were obtained by halide exchange or by oxidative addition of Br₂ to 1 or Cl₂ to trans-Pt(PEt₃)₂(R)(Br). Except for 2 (R = Ph, 4-trifluoromethylphenyl), all of the Pt(IV) complexes are photosensitive to UV light and undergo net halogen reductive elimination to give Pt(II) products, trans-Pt(PEt₃)₂(R)(X) (X = Cl, Br). Chlorine trapping experiments with alkenes indicate a reductive-elimination mechanism that does not involve mol. chlorine and is sensitive to steric effects at the Pt center. DFT calculations suggest a radical pathway involving ³LMCT excited states. Emission from a triplet is observed in glassy 2-methyltetrahydrofuran at 77 K where photoreductive elimination is markedly slowed.

Inorganic Chemistry published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, Formula: C6H12Br2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Babgi, Bandar A. published the artcileSynthesis, structures, DNA-binding, cytotoxicity and molecular docking of CuBr(PPh₃)(diimine), Category: bromides-buliding-blocks, the publication is Polyhedron (2020), 114847, database is CAplus.

The copper(I) coordination compounds of general formula [CuBr(PPh₃)(N^ΛN)] (N^ΛN = 2,2′-bipyridine (1), 1,10-phenanthroline (2), 4,4′-dimethyl-2,2′-bipyridine (3), 4,4′-dimethoxy-2,2′-bipyridine (4), 3-(2-pyridyl)-4,5-diphenyl-1,2,4-triazine (5), 4,7-diphenyl-1,10-phenanthroline (6), 5-nitro-1,10-phenanthroline (7), dipyrido[3,2-a:2′,3′-c]phenazine(8)) have been synthesized and characterized by elemental anal., ³¹P NMR spectroscopy and mass spectrometry. The structure of 5 and 7 were confirmed by X-ray crystallog. 5 Is the second example to be reported with an unusual 4 N-triazine-ligated coordination mode of the 3-(2-pyridyl)-4,5-diphenyl-1,2,4-triazine. Calculated energies of the two possible bidentate modes of the ligand (2 N- and 4 N-triazine) at the copper center showed no significant difference, consistent with the absence of the steric hindrance at the metal center. Preliminary biol. studies were conducted, highlighting the effect of the diimine ligands. 5 And 8 exhibited good cytotoxicity against prostate (PC-3), leukemia (MOLT-4) and breast (MCF-7) cancer cell lines, consistent with the presence of nitrogen heteroatoms and extended delocalized systems correlating with strong cytotoxic performance. Binding affinity studies against ct-DNA and docking studies with B-DNA and MDM2 protein highlighted the strong π interactions of 5 and 8, with the planarity of the diimine ligand of the latter contributing to its better binding and cytotoxicity. The present results afford structural design requirements for new copper(I) coordination compounds with enhanced biol./physiochem. properties.

Polyhedron published new progress about 25753-84-8. 25753-84-8 belongs to bromides-buliding-blocks, auxiliary class Copper, name is Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I), and the molecular formula is C30H24BrCuN2P, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Martins Alho, Miriam A. published the artcileAntiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones, Quality Control of 518-67-2, the publication is Bioorganic & Medicinal Chemistry (2014), 22(5), 1568-1585, database is CAplus and MEDLINE.

Protozoan parasites have been one of the most significant public health problems for centuries and several human infections caused by them have massive global impact. Most of the current drugs used to treat these illnesses have been used for decades and have many limitations such as the emergence of drug resistance, severe side-effects, low-to-medium drug efficacy, administration routes, cost, etc. These drugs have been largely neglected as models for drug development because they are majorly used in countries with limited resources and as a consequence with scarce marketing possibilities. Nowadays, there is a pressing need to identify and develop new drug-based antiprotozoan therapies. In an effort to overcome this problem, the main purpose of this study is to develop a QSARs-based ensemble classifier for antiprotozoan drug-like entities from a heterogeneous compounds collection. Here, the authors use some of the TOMOCOMD-CARDD mol. descriptors and linear discriminant anal. (LDA) to derive individual linear classification functions to discriminate between antiprotozoan and non-antiprotozoan compounds as a way to enable the computational screening of virtual combinatorial datasets and/or drugs already approved. Firstly, the authors construct a wide-spectrum benchmark database comprising of 680 organic chems. with great structural variability (254 of them antiprotozoan agents and 426 to drugs having other clin. uses). This series of compounds was processed by a k-means cluster anal. to design training and predicting sets. In total, seven discriminant functions were obtained, by using the whole set of atom-based linear indexes. All the LDA-based QSAR models show accuracies above 85% in the training set and values of Matthews correlation coefficients (C) vary from 0.70 to 0.86. The external validation set shows rather-good global classifications of around 80% (92.05% for best equation). Later, the authors developed a multi-agent QSAR classification system, in which the individual QSAR outputs are the inputs of the aforementioned fusion approach. Finally, the fusion model was used for the identification of a novel generation of lead-like antiprotozoan compounds by using ligand-based virtual screening of ‘available’ small mols. (with synthetic feasibility) in the authors’ ‘inhouse’ library. A new mol. subsystem (quinoxalinones) was then theor. selected as a promising lead series, and its derivatives subsequently synthesized, structurally characterized, and exptl. assayed by using in vitro screening that took into consideration a battery of five parasite-based assays. The chems. 7-Nitro-4-(5-piperidinopentyl)-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (11), 4-(5-Azepanylpentyl)-7-nitro-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (12) and 1-Methyl-7-nitro-4-(5-piperidinopentyl)-3,4-dihydro-1H-quinoxalin-2-one hydrobromide (16) are the most active (hits) against apicomplexa (sporozoa) and mastigophora (flagellata) subphylum parasites, resp. Both compounds depicted good activity in every protozoan in vitro panel and they did not show unspecific cytotoxicity on the host cells. The described tech. framework seems to be a promising QSAR-classifier tool for the mol. discovery and development of novel classes of broad-antiprotozoan-spectrum drugs, which may meet the dual challenges posed by drug-resistant parasites and the rapid progression of protozoan illnesses.

Bioorganic & Medicinal Chemistry published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Quality Control of 518-67-2.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Smith, Davis E. published the artcileExploiting Atropisomerism to Increase the Target Selectivity of Kinase Inhibitors, Related Products of bromides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2015), 54(40), 11754-11759, database is CAplus and MEDLINE.

Many biol. active mols. exist as rapidly interconverting atropisomeric mixtures Whereas one atropisomer inhibits the desired target, the other can lead to off-target effects. Herein, we study atropisomerism as a possibility to improve the selectivities of kinase inhibitors through the synthesis of conformationally stable pyrrolopyrimidines. Each atropisomer was isolated by HPLC on a chiral stationary phase and subjected to inhibitor profiling across a panel of 18 tyrosine kinases. Notably different selectivity patterns between atropisomers were observed, as well as improved selectivity compared to a rapidly interconverting parent mol. Computational docking studies then provided insights into the structure-based origins of these effects. This study is one of the first examples of the intentional preorganization of a promiscuous scaffold along an atropisomeric axis to increase target selectivity, and provides fundamental insights that may be applied to other atropisomeric target scaffolds.

Angewandte Chemie, International Edition published new progress about 89694-44-0. 89694-44-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is 2-Bromo-5-methoxybenzene boronic acid, and the molecular formula is C12H17NO2, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Lambert, Joseph B. published the artcileInductive enhancement of aryl participation, Related Products of bromides-buliding-blocks, the publication is Journal of the American Chemical Society (1977), 99(9), 3059-67, database is CAplus.

Enhanced participation by an aryl group in solvolysis could be achieved by placing an electron-withdrawing substituent vicinal to the leaving group. Acetolysis of meso-1,4-diaryl-2,3-butanediyl ditosylates and of 1,4-diaryl-2-butyl tosylates, in which the aryl groups were substituted with p-OMe, p-Me, H, p-Cl, m-CF3 and p-NO2, was examined The 2nd tosylate group provided the inductive stimulus for increased aryl participation. Comparison of the monotosylate with the ditosylate showed that the proportion of aryl participation increased from 93-9% for p-OMe, from 66-99% for p-Me, from 35-94% for H, and from 0-68% for p-Cl. Thus an electron-withdrawing substituent vicinal to the leaving group made the aryl-participation pathway essentially exclusive for aryl groups with substituents with σ ≥0. Even for a substituent with a small neg. σ value, such as p-Cl, participation could be quite significant in the ditosylate series, while completely lacking in the monotosylate series.

Journal of the American Chemical Society published new progress about 1997-80-4. 1997-80-4 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,Benzene, name is 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, and the molecular formula is C9H8BrF3, Related Products of bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Dalkas, Georgios A. published the artcileStudy of a lipophilic captopril analogue binding to angiotensin I converting enzyme, Recommanded Product: 3-Bromo-2-methylpropanoic acid, the publication is Journal of Peptide Science (2010), 16(2), 91-97, database is CAplus and MEDLINE.

Human ACE is a central component of the renin-angiotensin system and a major therapeutic target for cardiovascular diseases. The somatic form of the enzyme (sACE) comprises two homologous metallopeptidase domains (N and C), each bearing a zinc active site with similar but distinct substrate and inhibitor specificities. In this study, we present the biol. activity of silacaptopril, a silylated analog of captopril, and its binding affinity towards ACE. Based on the recently determined crystal structures of both the ACE domains, a series of docking calculations were carried out in order to study the structural characteristics and the binding properties of silacaptopril and its analogs with ACE. Copyright © 2009 European Peptide Society and John Wiley & Sons, Ltd.

Journal of Peptide Science published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Recommanded Product: 3-Bromo-2-methylpropanoic acid.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Mitrofanov, Alexander published the artcileStructural and Electrochemical Studies of Copper(I) Complexes with Diethoxyphosphoryl-1,10-phenanthrolines, COA of Formula: C30H24BrCuN2P, the publication is European Journal of Inorganic Chemistry (2014), 2014(21), 3370-3386, database is CAplus.

Two series of copper(I) complexes with diethoxyphosphoryl-substituted 1,10-phenanthroline ligands were synthesized and characterized in the solid state and in solution The first comprised mixed-ligand Cu^I complexes with phenanthroline and triphenylphosphine. The second series includes bis-chelates with two phenanthroline ligands. According to the x-ray data for the six complexes, the ditopic phenanthroline ligands exhibit bidentate coordination to the copper(I) atom through two nitrogen atoms in both series. Solution equilibrium involving different phenanthroline copper(I) species were studied by ¹H and ³¹P NMR spectroscopy, electrochem., and spectroelectrochem. The solution speciation of these labile complexes is different for these two series and depends on the nature of solvent and the location of the phosphorus substituent on the phenanthroline backbone. Coordinating solvents can replace a bromide, triphenylphosphine, and even a phenanthroline ligand in the inner coordination sphere of the metal center. Copper(I) complexes with α-substituted phenanthrolines easily dissociate even in noncoordinating solvents such as CH₂Cl₂ and CHCl₃. Ligand-exchange reactions leading to less sterically hindered species were observed under the used solution conditions. The coordination mode of the phenanthroline chelators does not change under any of the used solution conditions, and binding of the phosphoryl group to the metal center was never observed by spectroscopic or spectroelectrochem. methods.

European Journal of Inorganic Chemistry published new progress about 25753-84-8. 25753-84-8 belongs to bromides-buliding-blocks, auxiliary class Copper, name is Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I), and the molecular formula is C30H24BrCuN2P, COA of Formula: C30H24BrCuN2P.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary