Tag: 200-300

In 2022,Dallavalle, Sabrina; Musso, Loana; Cincinelli, Raffaella; Darwiche, Nadine; Gervasoni, Silvia; Vistoli, Giulio; Guglielmi, Mario B.; La Porta, Ilaria; Pizzulo, Maddalena; Modica, Elisa; Prosperi, Federica; Signorino, Giacomo; Colelli, Fabiana; Cardile, Francesco; Fucci, Alessandra; D’Andrea, Egildo Luca; Riccio, Assunta; Pisano, Claudio published an article in European Journal of Medicinal Chemistry. The title of the article was 《Antitumor activity of novel POLA1-HDAC11 dual inhibitors》.Category: bromides-buliding-blocks The author mentioned the following in the article:

Hybrid mols. targeting simultaneously DNA polymerase α (POLA1) and histone deacetylases (HDACs) were designed and synthesized to exploit a potential synergy of action. Among a library of screened mols., MIR002 and GEM144 showed antiproliferative activity at nanomolar concentrations on a panel of human solid and haematol. cancer cell lines. In vitro functional assays confirmed that these mols. inhibited POLA1 primer extension activity, as well as HDAC11. Mol. docking studies also supported these findings. Mechanistically, MIR002 and GEM144 induced acetylation of p53, activation of p21, G1/S cell cycle arrest, and apoptosis. Oral administration of these inhibitors confirmed their antitumor activity in in vivo models. In human non-small cancer cell (H460) xenografted in nude mice MIR002 at 50 mg/kg, Bid (qd x 5 x 3w) inhibited tumor growth (TGI = 61%). More interestingly, in POLA1 inhibitor resistant cells (H460-R9A), the in vivo combination of MIR002 with cisplatin showed an additive antitumor effect with complete disappearance of tumor masses in two animals at the end of the treatment. Moreover, in two human orthotopic malignant pleural mesothelioma xenografts (MM473 and MM487), oral treatments with MIR002 and GEM144 confirmed their significant antitumor activity (TGI = 72-77%). Consistently with recent results that have shown an inverse correlation between POLA1 expression and type I interferon levels, MIR002 significantly upregulated interferon-α in immunocompetent mice. In addition to this study using Ethyl 5-bromovalerate, there are many other studies that have used Ethyl 5-bromovalerate(cas: 14660-52-7Category: bromides-buliding-blocks) was used in this study.

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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lanyon-Hogg, Thomas; Ritzefeld, Markus; Zhang, Leran; Andrei, Sebastian A.; Pogranyi, Balazs; Mondal, Milon; Sefer, Lea; Johnston, Callum D.; Coupland, Claire E.; Greenfield, Jake L.; Newington, Joshua; Fuchter, Matthew J.; Magee, Anthony I.; Siebold, Christian; Tate, Edward W. published an article in 2021. The article was titled 《Photochemical Probe Identification of a Small-Molecule Inhibitor Binding Site in Hedgehog Acyltransferase (HHAT)》, and you may find the article in Angewandte Chemie, International Edition.Synthetic Route of C9H9BrO2 The information in the text is summarized as follows:

The mammalian membrane-bound O-acyltransferase (MBOAT) superfamily is involved in biol. processes including growth, development and appetite sensing. MBOATs are attractive drug targets in cancer and obesity; however, information on the binding site and mol. mechanisms underlying small-mol. inhibition is elusive. This study reports rational development of a photochem. probe to interrogate a novel small-mol. inhibitor binding site in the human MBOAT Hedgehog acyltransferase (HHAT). Structure-activity relationship investigation identified single enantiomer IMP-1575, the most potent HHAT inhibitor reported to-date, and guided design of photocrosslinking probes that maintained HHAT-inhibitory potency. Photocrosslinking and proteomic sequencing of HHAT delivered identification of the first small-mol. binding site in a mammalian MBOAT. Topol. and homol. data suggested a potential mechanism for HHAT inhibition which was confirmed by kinetic anal. Our results provide an optimal HHAT tool inhibitor IMP-1575 (Ki=38 nM) and a strategy for mapping small mol. interaction sites in MBOATs.Benzyl 2-bromoacetate(cas: 5437-45-6Synthetic Route of C9H9BrO2) was used in this study.

Benzyl 2-bromoacetate(cas: 5437-45-6) belongs to benzyl acetate. Benzyl acetate is an aromatic chemical, usually appearing as a clear liquid with a moderate sweet-jasmine fragrance. This compound appears as a component of some of our fragrance blends.Synthetic Route of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Name: 1,4-Bis(bromomethyl)benzeneIn 2019 ,《Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping. The article contains the following contents:

Two new tetracationic cyclophanes 1 and 2 containing tetraphenylethene and bipyridinium moieties were synthesized via a two-step SN2 reaction. These water-soluble cyclophanes with a cationic and hydrophobic cavity exhibited selective recognition for amino acids (e.g. tryptophan) and adenosine derivatives (e.g.ATP) via electrostatic and π-π interactions in water. In addition to this study using 1,4-Bis(bromomethyl)benzene, there are many other studies that have used 1,4-Bis(bromomethyl)benzene(cas: 623-24-5Name: 1,4-Bis(bromomethyl)benzene) was used in this study.

1,4-Bis(bromomethyl)benzene(cas: 623-24-5) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Name: 1,4-Bis(bromomethyl)benzene Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Bhumireddy, Archana; Bandaru, N. V. M. Rao; Raghurami Reddy, B.; Gore, Suraj T.; Mukherjee, Subhendu; Balasubramanian, Wesley Roy; Sumanth Kumar, V.; Alapati, Krishna Satya; Venkata Gowri Chandra Sekhar, Kondapalli; Nellore, Kavitha; Abbineni, Chandrasekhar; Samajdar, Susanta published an article in Bioorganic & Medicinal Chemistry Letters. The title of the article was 《Design, synthesis, and biological evaluation of phenyl thiazole-based AR-V7 degraders》.Recommanded Product: Ethyl 5-bromovalerate The author mentioned the following in the article:

Multiple Splice variants of AR have been reported in the past few years. These splice variants are upregulated in most cases of CRPC resulting in poor prognosis. Most of these variants lack the ligand binding domain (LBD) but still bind to DNA resulting in constitutive activation of downstream targets. The AR-V7 splice variant has been characterized extensively and current clin. trials in CRPC are exploring the use of AR-V7 as a biomarker. New therapeutic mols. that selectively target AR-V7 are also being explored. However, there is a dearth of information available on the selectivity, phenotypic responses in AR-V7 dependent cell lines and pharmacokinetic properties of such mols. Using our proprietary computational algorithms and rational SAR optimization, we have developed a potent and selective AR-V7 degrader from a known AR DNA binding domain (DBD) binder. This mol. effectively degraded AR-V7 in a CRPC cell line and demonstrated good oral bioavailability in mouse PK studies. This tool compound can be used to evaluate the pharmacol. effects of AR-V7 degraders. Further exploration of SAR can be pursued to develop more optimized lead compoundsEthyl 5-bromovalerate(cas: 14660-52-7Recommanded Product: Ethyl 5-bromovalerate) was used in this study.

Ethyl 5-bromovalerate(cas: 14660-52-7) 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: Ethyl 5-bromovalerate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Jiang, Xiao; Tian, Zhongjian; Ji, Xingxiang; Ma, Hao; Yang, Guihua; He, Ming; Dai, Lin; Xu, Ting; Si, Chuanling published an article in International Journal of Biological Macromolecules. The title of the article was 《Alkylation modification for lignin color reduction and molecular weight adjustment》.COA of Formula: C6H12Br2 The author mentioned the following in the article:

The application of industrial kraft lignin is limited by its low mol. weight, dark color, and low solubility In this work, an efficient crosslinking reaction with N,N-Dimethylformamide (DMF) and 1,6-dibromohexane was proposed for adjusting the mol. weight and color of lignin. The chem. structure of alkylation lignin was systematically investigated by gel permeation chromatog. (GPC), UV spectroscopy, Fourier transform IR (FT-IR) spectroscopy, and 2D heteronuclear single quantum correlation NMR (HSQC NMR) spectra. After the alkylation modification, the mol. weights of the lignin were increased to 1643%. The resinol (β-β), β-aryl ether (β-O-4), and phenylcoumaran (β-5) linkages were still the main types of the linkages. The formation of β-β linkage would be inhibited at high temperatures The color reduction of lignin can be attributed to the low content of chromophores and low packing d. This alkylation lignin will be a new and general approach for developing mol. weight-controlled and light-colored lignins, which can find more applications in cosmetics, packing, and other fields. The experimental process involved the reaction of 1,6-Dibromohexane(cas: 629-03-8COA of Formula: C6H12Br2)

1,6-Dibromohexane(cas: 629-03-8) is generally used to introduce C6 spacer in the molecular architecture. Some of the examples are: synthesis of solvent processable and conductive polyfluorene ionomers for alkaline fuel cell applications; synthesis of cross-linkable regioregular poly(3-(5-hexenyl)thiophene) (P3HNT) for stabilizing the film morphology in polymer photovoltaic cells.COA of Formula: C6H12Br2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Manganese-Catalyzed β-Methylation of Alcohols by Methanol》 was written by Schlagbauer, Martin; Kallmeier, Fabian; Irrgang, Torsten; Kempe, Rhett. Electric Literature of C5BrMnO5 And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

We report an earth-abundant-metal-catalyzed double and single methylation of alcs. A manganese catalyst, which operates at low catalyst loadings and short reaction times, mediates these reactions efficiently. A broad scope of primary and secondary alcs., including purely aliphatic examples, and 1,2-amino alcs. can be methylated. Furthermore, alc. methylation for the synthesis of pharmaceuticals has been demonstrated. The catalyst system tolerates many functional groups, among them hydrogenation-sensitive examples; and up-scaling is easily achieved. Mechanistic investigations are indicative of a borrowing hydrogen or hydrogen auto-transfer mechanism involving a bimetallic K-Mn catalyst. The catalyst accepts hydrogen as a proton and a hydride from alcs. efficiently and reacts with a chalcone via hydride transfer. After reading the article, we found that the author used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Electric Literature of C5BrMnO5)

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Electric Literature of C5BrMnO5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Mechanistic pathways for halogen dance reactions in bromo-thiophenes: a cascade-like pattern》 was published in Journal of Chemical Sciences (Berlin, Germany) in 2020. These research results belong to Sakhaee, Nader; Sakhaee, Sahar; Mobaraki, Akbar; Takallou, Ahmad; Sakhaee, Mohammad Hossein. Recommanded Product: 3141-27-3 The article mentions the following:

Ever since the halogen dance reaction was discovered by Bunnet et al, synthetic chemists have utilized the transformation in many desirable ways to build substituted heterocyclic target mols. of all kind. Using DFT-Cam-B3LYP/ land2dz computations and focused on Hannes Frohlich et al. Halogen dance (HD) reactions of bromothiophenes, a new bromo-bridged transition state (TS) is proposed. This bromo-bridged TS was then used to put forth eight possible isomerization as well as eight possible disproportionation paths. These mechanistic pathways were then carefully inspected based on TS’s energy and protonation/deprotonation steps to find the most suitable pathways. Collectively these mechanistic pathways joined like a jigsaw puzzle to give, for the first-time, a fully comprehensive cascade-like pattern for base-catalyzed halogen dance in its entirety. The present work may well shed light on a dynamic domino mechanism which dominates the realm of nonaqueous strongly basic medium, organic chem., reactions. After reading the article, we found that the author used 2,5-Dibromothiophene(cas: 3141-27-3Recommanded Product: 3141-27-3)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used in the preparation of soluble α,ω-diformyl-a-oligothiophenes.Recommanded Product: 3141-27-3

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

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

In 2022,Liu, Chao; Shi, Lei; Zhang, Jiaxu; Sun, Jianmin published an article in Chemical Engineering Journal (Amsterdam, Netherlands). The title of the article was 《One-pot synthesis of pyridine-based ionic hyper-cross-linked polymers with hierarchical pores for efficient CO2 capture and catalytic conversion》.Reference of 1,4-Bis(bromomethyl)benzene The author mentioned the following in the article:

A kind of pyridine-based ionic hyper-cross-linked polymers (Py-HCP-X, X = Cl, Br) with high surface area, plentiful hierarchical pores and abundant catalytic active units were prepared via a one-pot method. Adsorption measurements showed that the as-prepared Py-HCP-X exhibited high CO2 capture capacity (up to 1.72 mmol g-1, 273 K and 1 bar). Importantly, Py-HCP-Br displayed excellent catalytic activity for the cycloaddition of CO2 to epoxides under metal/cocatalyst/solvent-free conditions. And the propylene carbonate was produced in 97% yield with an excellent selectivity of 99% at 120°C and 2.0 MPa CO2 for 8 h. The high performance of the present catalyst is ascribable to synergistic contributions of plentiful hierarchical pores and abundant nucleophilic bromide ions and pyridine-based active units in the Py-HCP-Br catalyst. Addnl., the catalyst is able to be simply separated by centrifugation and reused for four runs without significant loss in the performance, furthermore, the catalyst exhibits great structural stability and substrate universality. In the experiment, the researchers used 1,4-Bis(bromomethyl)benzene(cas: 623-24-5Reference of 1,4-Bis(bromomethyl)benzene)

1,4-Bis(bromomethyl)benzene(cas: 623-24-5) 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.Reference of 1,4-Bis(bromomethyl)benzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary