Month: October 2022

Reference of 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenylOn November 12, 2004 ,《A palladium(II)-clipped aromatic sandwich》 appeared in Angewandte Chemie, International Edition. The author of the article were Kumazawa, Kazuhisa; Yamanoi, Yoshinori; Yoshizawa, Michito; Kusukawa, Tukahiro; Fujita, Makoto. The article conveys some information:

A π-stacked host-guest system in which large aromatic guests are sandwiched by metal-clipped π-conjugated ligands was prepared by self-assembly. The ligand 1 is a roughly 2-nm-sized hexagonal planar mol. that consists of ten aromatic rings with 6 pyridyl donor sites at the periphery. Upon complexation with [(en)Pd(NO3)2] (en = ethylenediamine) this ligand is assembled to give large 2-dimensional receptors. In the presence of D3h-sym. guests (2) sandwich complexes [2⊂3]12+, where 312+ (the host) has a composition [{(ethylenediamine)Pd}6(1)2]12+. The guest mol. is wrapped by 2 ligands whose pyridyl donor sites are fully clipped by 6 {(en)Pd}2+ units at the rim of the structure. The experimental part of the paper was very detailed, including the reaction process of 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8Reference of 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl)

3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8) 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. Reference of 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Product Details of 583-69-7On May 31, 2019, Li, Yang-Yang; Liu, Hong; Xu, Ying; Zhou, Ning-Yi published an article in International Biodeterioration & Biodegradation. The article was 《A two-component monooxygenase initiates a novel 2-bromo-4-nitrophenol catabolic pathway in newly isolated Cupriavidus sp. strain NyZ375》. The article mentions the following:

As a vital byproduct of chem. intermediates for pesticides and cytotoxin inhibitors, 2-bromo-4-nitrophenol (2B4NP) is toxic to aquatic life. However, bacterial cultures mineralizing 2B4NP have not been reported. In this study, Cupriavidus sp. strain NyZ375 was isolated from aromatics-polluted soil and identified by 16S rRNA gene sequencing. Via an oxidative pathway, it grows on 120μM 2B4NP as the only carbon source, releasing approx. equivalent amount of nitrite. Three genes (bnpABC) in a 4.8-kb DNA fragment from a draft genome was found to be responsible for the initial reactions in 2B4NP degradation BnpAB are the monooxygenase and flavin reductase components, resp., catalyzing the monooxygenation of 2B4NP to bromohydroquinone (BHQ, 63%) and 1,2,4-benzenetriol (BT, 37%) with concomitant nitrite release, in the presence of NADH and FAD. BnpC is a hydroxyquinol 1,2-dioxygenase catalyzing the ring-cleavage oxidation of BT to maleylacetate. The byproduct BHQ was not further degraded by strain NyZ375 but was not toxic to its growth at a concentration of 100μM. It can be tentatively concluded that BnpAB is evolutionary close to the 2,4,6-trichlorophenol monooxygenase TcpAX from Cupriavidus necator JMP134. The 2B4NP catabolism by this new isolate illustrates a pathway distinct from those of all identified 2-chloro-4-nitrophenol utilizers. In addition to this study using 2-Bromobenzene-1,4-diol, there are many other studies that have used 2-Bromobenzene-1,4-diol(cas: 583-69-7Product Details of 583-69-7) was used in this study.

2-Bromobenzene-1,4-diol(cas: 583-69-7) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. The most pervasive is the naturally produced bromomethane.Product Details of 583-69-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Maddirala, Amarendar Reddy; Klein, Roger; Pinkner, Jerome S.; Kalas, Vasilios; Hultgren, Scott J.; Janetka, James W. published an article on January 24 ,2019. The article was titled 《Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design》, and you may find the article in Journal of Medicinal Chemistry.Related Products of 1214323-39-3 The information in the text is summarized as follows:

The F9/Yde/Fml pilus, tipped with the FmlH adhesin, has been shown to provide uropathogenic Escherichia coli (UPEC) a fitness advantage in urinary tract infections (UTIs). Here, the authors used X-ray structure guided design to optimize our previously described ortho-biphenyl Gal and GalNAc FmlH antagonists by replacing the carboxylate with a sulfonamide. Other groups which can accept H-bonds were also tolerated. The authors pursued further modifications to the biphenyl aglycon resulting in significantly improved activity. Two of the most potent compounds (IC50 = 0.051 μM) and (IC50 = 0.034 μM), exhibited excellent metabolic stability in mouse plasma and liver microsomes but showed only limited oral bioavailability (<1%) in rats. Another compound also showed a good pharmacokinetic (PK) profile in mice after IP dosing with compound exposure above the IC50 for 6 h. These new FmlH antagonists represent new antivirulence drugs for UTIs. In addition to this study using 2-Bromo-3-(trifluoromethyl)phenol, there are many other studies that have used 2-Bromo-3-(trifluoromethyl)phenol(cas: 1214323-39-3Related Products of 1214323-39-3) was used in this study.

2-Bromo-3-(trifluoromethyl)phenol(cas: 1214323-39-3) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.Related Products of 1214323-39-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Miller, Timothy M.; Neenan, Thomas X.; Zayas, Roberto; Bair, Harvey E. published an article on January 29 ,1992. The article was titled 《Synthesis and characterization of a series of monodisperse, 1,3,5-phenylene-based hydrocarbon dendrimers including C276H186 and their fluorinated analogs》, and you may find the article in Journal of the American Chemical Society.Recommanded Product: 29102-67-8 The information in the text is summarized as follows:

The convergent synthesis of a series of monodisperse aromatic dendrimers having mol. diameters 15-31 Å is described. These materials consist of 4,10, 22, or 46 benzene rings linked sym. by σ-bonds. Increasingly large dendrimer arms are prepared stepwise via Pd-catalyzed coupling of arylboronic acids to 3,5-dibromo-1-(trimethylsilyl)benzene. The aryltrimethylsilane is subsequently converted to a new arylboronic acid by reaction with BBr3 followed by hydrolysis. Coupling of arylboronic acid dendrimer arms to 1,3,5-tribromobenzene or 1,3,5-tris(3,5-dibromophenyl)benzene is the final step in the synthesis. A series of dendrimers consisting of 4, 10, and 22 Ph rings sym. arranged in which the outer Ph rings are fluorinated is prepared by a similar sequence of reactions. The largest hydrocarbon dendrimer is soluble to the extent of 190 g/L in PhMe and is stable to 500°. In the experiment, the researchers used 3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8Recommanded Product: 29102-67-8)

3,3”,5,5”-Tetrabromo-5′-(3,5-dibromophenyl)-1,1′:3′,1”-terphenyl(cas: 29102-67-8) 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. In contrast, terrestrial plants account only for a few bromine-containing compounds.Recommanded Product: 29102-67-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Bag, Subhendu Sekhar; Yashmeen, Afsana published 《Uracil-amino acid as a scaffold for β-sheet peptidomimetics: Study of photophysics and interaction with BSA protein》.Bioorganic & Medicinal Chemistry Letters published the findings.Recommanded Product: 3395-91-3 The information in the text is summarized as follows:

We report herein the uracil-di-aza-amino acid (UrAA) as a new family of mol. scaffold to induce β-hairpin structure with H-bonded β-sheet conformation in a short peptide. This has been demonstrated in two conceptual fluorescent pentapeptides wherein triazolylpyrenyl alanine and/or triazolylmethoxynaphthyl alanine (TPyAlaDo and/or TMNapAlaDo) are embedded into two arms of the uracil-amino acid via an intervening leucine. Conformational anal. by CD, IR, variable temperature and 2D NMR spectroscopy reveals the β-hairpin structures for both the peptides. Study of photophys. property reveals that the pentapeptide containing fluorescent triazolyl unnatural amino acids TMNapAlaDo and TPyAlaDo at the two termini exhibits dual path entry to exciplex emission-either via FRET from TMNapAlaDo to TPyAlaDo or via direct excitation of a FRET acceptor, TPyAlaDo. The other pentapeptide with TPyAlaDo/TPyAlaDo pair shows excimer emission. Furthermore, both the peptides maintaining their fundamental photophysics are found to interact with BSA as only a test biomol. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3Recommanded Product: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. 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.Recommanded Product: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,European Journal of Pharmaceutical Sciences included an article by Trivedi, Prakruti; Adhikari, Nilanjan; Amin, Sk. Abdul; Bobde, Yamini; Ganesh, Routholla; Jha, Tarun; Ghosh, Balaram. Name: Methyl 3-bromopropanoate. The article was titled 《Design, synthesis, biological evaluation and molecular docking study of arylcarboxamido piperidine and piperazine-based hydroxamates as potential HDAC8 inhibitors with promising anticancer activity》. The information in the text is summarized as follows:

Some new hydroxamate derivatives with alkylpiperidine and alkylpiperazine linker moieties were designed, synthesized and biol. evaluated. All these compounds were effective HDAC8 inhibitors comprising more or less similar cytotoxic potential against different cancer cell lines. It was observed that the piperazine scaffold containing compound was more active than the compound with piperidine scaffold for exerting HDAC8 inhibitory activity. Moreover, the 4-quinolyl cap group was better than the biphenyl group which was better than the benzyl group for producing higher HDAC8 inhibition as well as cytotoxicity. These compounds displayed selective HDAC8 inhibition over HDAC3. Moreover, these compounds showed an increased caspase3/7 activity suggesting their anticancer potential through modulation of apoptotic pathways. Mol. docking study with three potent compounds was performed with both HDAC3 and HDAC8 enzymes to understand the selectivity profile of these compounds Compound containing 4-quinolyl cap group with alkyl piperazinyl urea linker moiety was emerged out as the lead mol. that may be further modified to design more effective and selective HDAC8 inhibitors in future. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3Name: Methyl 3-bromopropanoate)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. 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.Name: Methyl 3-bromopropanoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Daub, Mary Elisabeth; Jung, Hoimin; Lee, Byung Joo; Won, Joonghee; Baik, Mu-Hyun; Yoon, Tehshik P.. Safety of Methyltriphenylphosphonium bromide. The article was titled 《Enantioselective [2+2] Cycloadditions of Cinnamate Esters: Generalizing Lewis Acid Catalysis of Triplet Energy Transfer》. The information in the text is summarized as follows:

We report the enantioselective [2+2] cycloaddition of simple cinnamate esters, the products of which are useful synthons for the controlled assembly of cyclobutane natural products. This method utilizes a cocatalytic system in which a chiral Lewis acid accelerates the transfer of triplet energy from an excited-state Ir(III) photocatalyst to the cinnamate ester. Computational evidence indicates that the principal role of the Lewis acid cocatalyst is to lower the absolute energies of the substrate frontier MOs, leading to greater electronic coupling between the sensitizer and substrate and increasing the rate of the energy transfer event. These results suggest Lewis acids can have multiple beneficial effects on triplet sensitization reactions, impacting both the thermodn. driving force and kinetics of Dexter energy transfer. In the part of experimental materials, we found many familiar compounds, such as Methyltriphenylphosphonium bromide(cas: 1779-49-3Safety of Methyltriphenylphosphonium bromide)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.Safety of Methyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction》 were Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning. And the article was published in Journal of the American Chemical Society in 2019. SDS of cas: 7051-34-5 The author mentioned the following in the article:

Ni(I)-mediated single-electron oxidative activation of alkyl halides has been extensively proposed as a key step in Ni-catalyzed cross-coupling reactions to generate radical intermediates. There are four mechanisms through which this step could take place: oxidative addition, outer-sphere electron transfer, inner-sphere electron transfer, and concerted halogen-atom abstraction. Despite considerable computational studies, there is no exptl. study to evaluate all four pathways for Ni(I)-mediated alkyl radical formation. Herein, we report the isolation of a series of (Xantphos)Ni(I)-Ar complexes that selectively activate alkyl halides over aryl halides to eject radicals and form Ni(II) complexes. This observation allows the application of kinetic studies on the steric, electronic, and solvent effects, in combination with DFT calculations, to systematically assess the four possible pathways. Our data reveal that (Xantphos)Ni(I)-mediated alkyl halide activation proceeds via a concerted halogen-atom abstraction mechanism. This result corroborates previous DFT studies on (terpy)Ni(I)- and (py)Ni(I)-mediated alkyl radical formation, and contrasts with the outer-sphere electron transfer pathway observed for (PPh3)4Ni(0)-mediated aryl halide activation. This study of a model system provides insight into the overall mechanism of Ni-catalyzed cross-coupling reactions and offers a basis for differentiating electrophiles in cross-electrophile coupling reactions. In the experiment, the researchers used (Bromomethyl)cyclopropane(cas: 7051-34-5SDS of cas: 7051-34-5)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.SDS of cas: 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Oxazole-bridged combretastatin A-4 derivatives with tethered hydroxamic acids: structure-activity relations of new inhibitors of HDAC and/or tubulin function》 were Schmitt, Florian; Gosch, Lisa Chiara; Dittmer, Alexandra; Rothemund, Matthias; Mueller, Thomas; Schobert, Rainer; Biersack, Bernhard; Volkamer, Andrea; Hoepfner, Michael. And the article was published in International Journal of Molecular Sciences in 2019. Safety of Ethyl 5-bromovalerate The author mentioned the following in the article:

New inhibitors of tubulin polymerization and/or histone deacetylase (HDAC) activity were synthesized by attaching alkyl tethered hydroxamic acid appendages of varying length to oxazole-bridged combretastatin A-4 analogous caps. While their antiproliferative and microtubule disrupting effect was most pronounced for derivatives with short spacers, HDAC inhibition was strongest for those with longer spacers. These findings were further supported by computational methods such as structure-based docking experiments exploring the target interactions of the derivatives with varying linkers. For instance, compounds featuring short four-atom spacers between cap and hydroxamic acid inhibited the growth of various cancer cell lines and human endothelial hybrid cells with IC50 values in the low nanomolar range. In line with their ability to inhibit the microtubule assembly, four- and five-atom spacered hydroxamic acids caused an accumulation of 518A2 melanoma cells in G2/M phase, whereas a compound featuring a six-atom spacer and performing best in HDAC inhibition, induced a G1 arrest in these cells. All these beneficial anticancer activities together with their selectivity for cancer cells over non-malignant cells, point out the great potential of these novel pleiotropic HDAC and tubulin inhibitors as drug candidates for cancer therapy. In the part of experimental materials, we found many familiar compounds, such as Ethyl 5-bromovalerate(cas: 14660-52-7Safety of Ethyl 5-bromovalerate)

Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. 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.Safety of Ethyl 5-bromovalerate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Photoinduced Organocatalyzed Atom Transfer Radical Polymerization Using Low ppm Catalyst Loading》 were Cole, Justin P.; Federico, Celia R.; Lim, Chern-Hooi; Miyake, Garret M.. And the article was published in Macromolecules (Washington, DC, United States) in 2019. Name: 1-Bromo-4-(trifluoromethyl)benzene The author mentioned the following in the article:

Photoinduced organocatalyzed atom-transfer radical polymerization (O-ATRP) is a controlled radical polymerization methodol. that can be mediated by organic photoredox catalysts under the influence of light. However, typical O-ATRP systems require relatively high catalyst loadings (1000 ppm) to achieve control over the polymerization Here, new core-extended diaryl dihydrophenazine photoredox catalysts were developed for O-ATRP and demonstrated to efficiently operate at low catalyst loadings of 5-50 ppm to produce polymers with excellent mol. weight control and low dispersity, while achieving near-quant. initiator efficiency. Photophys. and electrochem. properties of the catalysts were computationally predicted and exptl. measured to correlate these properties with improved catalytic performance. Furthermore, these catalysts were utilized to synthesize materials with complex architectures, such as triblock copolymers and star polymers. To demonstrate their broad utility, polymerizations employing these catalysts were successfully scaled up to 5 g and revealed to efficiently operate under air. In the experimental materials used by the author, we found 1-Bromo-4-(trifluoromethyl)benzene(cas: 402-43-7Name: 1-Bromo-4-(trifluoromethyl)benzene)

1-Bromo-4-(trifluoromethyl)benzene(cas: 402-43-7) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: 1-Bromo-4-(trifluoromethyl)benzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary