Tag: 200-300

Tomasic, Tihomir; Rabbani, Said; Jakob, Roman P.; Reisner, Andreas; Jakopin, Ziga; Maier, Timm; Ernst, Beat; Anderluh, Marko published an article in 2021. The article was titled 《Does targeting Arg98 of FimH lead to high affinity antagonists?》, and you may find the article in European Journal of Medicinal Chemistry.Product Details of 14660-52-7 The information in the text is summarized as follows:

Bacterial resistance has become an important challenge in the treatment of urinary tract infections. The underlying resistance mechanisms can most likely be circumvented with an antiadhesive approach, antagonizing the lectin FimH located at the tip of fimbriae of uropathogenic E. coli. Here we report on a novel series of FimH antagonists based on the 1-(α-D-mannopyranosyl)-4-phenyl-1,2,3-triazole scaffold, designed to incorporate carboxylic acid or ester functions to interact with FimH Arg98. The most potent representative of the series, ester I, displayed a Kd value of 7.6 nM for the lectin domain of FimH with a general conclusion that all esters outperform carboxylates in terms of affinity. Surprisingly, all compounds from this new series exhibited improved binding affinities also for the R98A mutant, indicating another possible interaction contributing to binding. Our study on 1-(α-D-mannopyranosyl)-4-phenyl-1,2,3-triazole-based FimH antagonists offers proof that targeting Arg98 side chain by a “”chem. common sense””, i.e. by introduction of the acidic moiety to form ionic bond with Arg98 is most likely unsuitable approach to boost FimH antagonists’ potency. After reading the article, we found that the author used Ethyl 5-bromovalerate(cas: 14660-52-7Product Details of 14660-52-7)

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.Product Details of 14660-52-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Takahashi, Yusuke; Seki, Masahiko published an article in 2021. The article was titled 《Finkelstein Reaction in Non-polar Organic Solvents: A Streamlined Synthesis of Organic Iodides》, and you may find the article in Organic Process Research & Development.Electric Literature of C7H13BrO2 The information in the text is summarized as follows:

The Finkelstein reaction of organic halides was found to proceed smoothly in non-polar organic solvents other than acetone when operated in the presence of a catalytic amount of tetra-n-butylammonium bromide and water. The new protocol was successfully applied to a preparation of Et 5-iodopentanoate from the corresponding bromide which was used directly for zinc reagent formation and Fukuyama coupling to enable the formation of the (+)-biotin side chain in a streamlined manner. Rate acceleration by microwave irradiation and an application to the synthesis of trimethylsilyl iodide was described as well. In the experiment, the researchers used Ethyl 5-bromovalerate(cas: 14660-52-7Electric Literature of C7H13BrO2)

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.Electric Literature of C7H13BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Heinen, Flemming; Reinhard, Dominik L.; Engelage, Elric; Huber, Stefan M. published an article in 2021. The article was titled 《A bidentate iodine(III)-based halogen-bond donor as a powerful organocatalyst》, and you may find the article in Angewandte Chemie, International Edition.Recommanded Product: 2,5-Dibromothiophene The information in the text is summarized as follows:

In contrast to iodine(I)-based halogen bond donors, iodine(III)-derived ones have only been used as Lewis acidic organocatalysts in a handful of examples, and in all cases they acted in a monodentate fashion. Herein, we report the first application of a bidentate bis(iodolium) salt as organocatalyst in a Michael and a nitro-Michael addition reaction as well as in a Diels-Alder reaction that had not been activated by noncovalent organocatalysts before. In all cases, the performance of this bidentate XB donor distinctly surpassed the one of arguably the currently strongest iodine(I)-based organocatalyst. Bidentate coordination to the substrate was corroborated by a structural anal. and by DFT calculations of the transition states. Overall, the catalytic activity of the bis(iodolium) system approaches that of strong Lewis acids like BF3. In the experiment, the researchers used many compounds, for example, 2,5-Dibromothiophene(cas: 3141-27-3Recommanded Product: 2,5-Dibromothiophene)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used as starting reagent for the synthesis of α,α′-didecylquater-, -quinque- and -sexi-thiophenes.Recommanded Product: 2,5-Dibromothiophene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Herrera-Luna, Jorge C.; Diaz, David Diaz; Jimenez, M. Consuelo; Perez-Ruiz, Raul published an article in 2021. The article was titled 《Highly Efficient Production of Heteroarene Phosphonates by Dichromatic Photoredox Catalysis》, and you may find the article in ACS Applied Materials & Interfaces.SDS of cas: 3141-27-3 The information in the text is summarized as follows:

A new strategy to achieve efficient aerobic phosphorylation of five-membered heteraroenes with excellent yields using dichromatic photoredox catalysis in a gel-based nanoreactor is described here. The procedure involves visible aerobic irradiation (cold white LEDs) of a mixture containing the heteroarene halide, trisubstituted phosphite, N,N-diisopropylethylamine (DIPEA) as sacrificial agent, and catalytic amounts of 9,10-dicyanoanthracene (DCA) in the presence of an adequate gelator, which permits a faster process than at the homogeneous phase. The methodol., which operates by a consecutive photoinduced electron transfer (ConPET) mechanism, was successfully applied to the straightforward and clean synthesis of a number of different heteroarene (furan, thiophene, selenophene, pyrrole, oxazole, or thioxazole) phosphonates, extending to the late-stage phosphonylation of the anticoagulant rivaroxaban. Strategically, employment of cold white light is critical since it provides both selective wavelengths for exciting 1st DCA (blue region) and subsequently its corresponding radical anion DCA•- (green region). The resultant strongly reducing excited agent DCA•-* is capable of even activate five-membered heteroarene halides (Br, Cl) with high reduction potentials (~-2.7 V) to effect the C(sp2)-P bond formation. Spectroscopic and thermodn. studies have supported the proposed reaction mechanism. The rate of product formation was clearly enhanced in gel media because reactants can be presumably localized not only in the solvent pools but also through to the fibers of the viscoelastic gel network. This was confirmed by field-emission SEM images where a marked densification of the network was observed, modifying its fibrillary morphol. Finally, rheol. measurements showed the resistance of the gel network to the incorporation of the reactants and the formation of the desired products. In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromothiophene(cas: 3141-27-3SDS of cas: 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 as starting reagent for the synthesis of α,α′-didecylquater-, -quinque- and -sexi-thiophenes.SDS of cas: 3141-27-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Mingming; Wei, Wei; Peng, Chengjun; Ma, Xiaodong; He, Xiao; Zhang, Heng; Zhou, Mingkang published their research in Bioorganic & Medicinal Chemistry Letters in 2021. The article was titled 《Discovery of novel pyrazolopyrimidine derivatives as potent mTOR/HDAC bi-functional inhibitors via pharmacophore-merging strategy》.Category: bromides-buliding-blocks The article contains the following contents:

The mTOR and HDAC dual suppression is meaningful for counteracting drug resistance resulted from kinase mutation and bypass mechanisms. Herein, we communicate our recent discovery of a novel structural series of mTOR/HDAC bi-functional inhibitors featuring the pyrazolopyrimidine core via pharmacophore-merging strategy. More than half of them exerted potent dual-target inhibitory activities. In particular, compound 50 exhibited IC50 values of 0.49 and 0.91 nM against mTOR and HDAC1, resp., along with remarkably enhanced anti-proliferative activity (IC50 = 1.74μM) against MV4-11 cell line than mTOR inhibitor MLN-0128 (IC50 = 5.84μM) and HDAC inhibitor SAHA (IC50 = 8.44μM). Its intracellular intervention of both mTOR signaling and HDAC was validated by the Western blot anal. Moreover, as the first disclosed mTOR/HDAC dual inhibitor with selectivity for some specific HDAC subtypes, it has the potential to alleviate the adverse effects resulted from pan-HDAC inhibition. Attributed to its favorable in vitro performance, compound 50 is valuable for further functional investigation as a polypharmacol. anti-cancer agent. The experimental process involved the reaction of Ethyl 5-bromovalerate(cas: 14660-52-7Category: bromides-buliding-blocks)

Ethyl 5-bromovalerate(cas: 14660-52-7) 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tien, Chieh-Hung; Trofimova, Alina; Holownia, Aleksandra; Kwak, Branden S.; Larson, Reed T.; Yudin, Andrei K. published their research in Angewandte Chemie, International Edition in 2021. The article was titled 《Carboxyboronate as a Versatile In Situ CO Surrogate in Palladium-Catalyzed Carbonylative Transformations》.Formula: C7H5BrO2 The article contains the following contents:

The application of carboxy-MIDA-boronate (MIDA=N-methyliminodiacetic acid) as an in situ CO surrogate for various palladium-catalyzed transformations is described. Carboxy-MIDA-boronate was previously shown to be a bench-stable boron-containing building block for the synthesis of borylated heterocycles. The present study demonstrates that, in addition to its utility as a precursor to heterocycle synthesis, carboxy-MIDA-boronate is an excellent in situ CO surrogate that is tolerant of reactive functionalities such as amines, alcs., and carbon-based nucleophiles. Its wide functional-group compatibility is highlighted in the palladium-catalyzed aminocarbonylation, alkoxycarbonylation, carbonylative Sonogashira coupling, and carbonylative Suzuki-Miyaura coupling of aryl halides. A variety of amides, esters, (hetero)aromatic ynones, and bis(hetero)aryl ketones were synthesized in good-to-excellent yields in a one-pot fashion. The experimental part of the paper was very detailed, including the reaction process of 5-Bromobenzo[d][1,3]dioxole(cas: 2635-13-4Formula: C7H5BrO2)

Furthermore, the coupling of 5-Bromobenzo[d][1,3]dioxole(cas: 2635-13-4) with β-methallyl alcohol was catalyzed by Pd(OAc)2 in combination with P(t-Bu)3.Formula: C7H5BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Khedkar, Nilesh Raghunath; Irlapatti, Nageswara Rao; Dadke, Disha; Kanoje, Vijay; Shaikh, Zubair; Karche, Vijay; Shinde, Vikas; Deshmukh, Gokul; Patil, Amit; Jachak, Santosh; Phukan, Samiron; Kizhakinagath, Praveenkumar Anidil; Gholve, Milind; Bhankhede, Trupti; Daler, Jagadeesh; Nemade, Harshal Narendra; Budhe, Sagar; Pareek, Himani; Yeshodharan, Rajesh; Gupta, Rajesh; Kalia, Anil; Pandey, Dilip; Wagh, Akshaya; Kumar, Swaroop; Patil, Vinod; Modi, Dipak; Sharma, Nidhi; Ahirrao, Prajakta; Mehta, Maneesh; Kumar, Hemant; Nigade, Prashant; Tamane, Kaustubh; Mallurwar, Sadanand; Kuldharan, Sandip; Pawar, Shashikant; Vishwase, Gururaj; Bokan, Sanjay; Singh, Minakshi; Naik, Kumar; Ingawale, Sachin; Shankar, Rajesh; Kamalakannan, Prabakaran; Venugopal, Spinvin; George, Shaji K.; Padiya, Kamlesh J.; Nemmani, Kumar V. S.; Gundu, Jaysagar; Bhonde, Mandar; Narasimham, Lakshmi; Sindkhedkar, Milind; Shah, Chirag; Sinha, Neelima; Sharma, Sharad; Bakhle, Dhananjay; Kamboj, Rajender Kumar; Palle, Venkata P. published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro-N-(2′-methyl-3′-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-[1,1′-biphenyl]-4-yl)benzamide. Structure-Activity Relationship and Preclinical Characterization》.Safety of 3-Bromo-2-methylbenzoic acid The article contains the following contents:

The role of calcium release-activated calcium (CRAC) channels is well characterized and is of particular importance in T-cell function. CRAC channels are involved in the pathogenesis of several autoimmune diseases, making it an attractive therapeutic target for treating inflammatory diseases, like rheumatoid arthritis (RA). A systematic structure-activity relationship study with the goal of optimizing lipophilicity successfully yielded two lead compounds, 36 and 37. Both compounds showed decent potency and selectivity and a remarkable pharmacokinetic profile. Further characterization in in vivo RA models and subsequent histopathol. evaluation of tissues led to the identification of 36 as a clin. candidate. Compound 36 displayed an excellent safety profile and had a sufficient safety margin to qualify it for use in human testing. Oral administration of 36 in Phase 1 clin. study in healthy volunteers established favorable safety, tolerability, and good target engagement as measured by levels of IL-2 and TNF-α. In the part of experimental materials, we found many familiar compounds, such as 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Safety of 3-Bromo-2-methylbenzoic acid)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Safety of 3-Bromo-2-methylbenzoic acid The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Development of a Scalable and Practical Synthesis of AB928, a Dual A2a/A2b Receptor Antagonist》 was written by Sharif, Ehesan U.; Miles, Dillon H.; Rosen, Brandon R.; Jeffrey, Jenna L.; Debien, Laurent P. P.; Powers, Jay P.; Leleti, Manmohan R.. Reference of 3-Bromo-2-methylbenzoic acid And the article was included in Organic Process Research & Development in 2020. The article conveys some information:

First- and second-generation routes to the dual A2a/A2b receptor antagonist AB928 I are disclosed. The second-generation route (performed on multigram scale) prepared the aminochloropyridinylbenzonitrile II by a route avoiding palladium-catalyzed borylation and Suzuki coupling reactions required in the initial route which generated significant amounts of byproducts. The experimental process involved the reaction of 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Reference of 3-Bromo-2-methylbenzoic acid)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) 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.Reference of 3-Bromo-2-methylbenzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Copper (II) immobilized on magnetically separable L-arginine-β-cyclodextrin ligand system as a robust and green catalyst for direct oxidation of primary alcohols and benzyl halides to acids in neat conditions》 was published in Journal of Organometallic Chemistry in 2020. These research results belong to Nejad, Masoumeh Jadidi; Salamatmanesh, Arefe; Heydari, Akbar. Application of 586-76-5 The article mentions the following:

Copper (II) immobilized on L-arginine-β-cyclodextrin-functionalized magnetite nanoparticles (nano-Fe3O4@L-arginine-CD-Cu(II)) were successfully synthesized and fully characterized using FT-IR, XRD, SEM, EDX, ICP, TGA and VSM techniques. The catalytic activity of these magnetically retrievable nanoparticles was evaluated in the direct oxidation of primary alcs. and benzyl halides to acids in neat conditions that was observed to proceed well and products were obtained in good yields. In addition to showing good catalytic activity, the magnetic catalyst is easy to synthesize and could be recycled at least five times with little loss in activity. In the experiment, the researchers used 4-Bromobenzoic acid(cas: 586-76-5Application of 586-76-5)

4-Bromobenzoic acid(cas: 586-76-5) has been used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography.Application of 586-76-5 It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Barrio, Jesus del; Liu, Ji; Brady, Ryan A.; Tan, Cindy S. Y.; Chiodini, Stefano; Ricci, Maria; Fernandez-Leiro, Rafael; Tsai, Ching-Ju; Vasileiadi, Panagiota; Di Michele, Lorenzo; Lairez, Didier; Toprakcioglu, Chris; Scherman, Oren A.. HPLC of Formula: 623-24-5. The article was titled 《Emerging Two-Dimensional Crystallization of Cucurbit[8]uril Complexes: From Supramolecular Polymers to Nanofibers》. The information in the text is summarized as follows:

The binding of imidazolium salts to cucurbit[8]uril, CB[8], triggers a stepwise self-assembly process with semiflexible polymer chains and crystalline nanostructures as early- and late-stage species, resp. In such a process, which involves the crystallization of the host-guest complexes, the guest plays a critical role in directing self-assembly toward desirable morphologies. These include platelet-like aggregates and two-dimensional (2D) fibers, which, moreover, exhibit viscoelastic and lyotropic properties. Our observations provide a deeper understanding of the self-assembly of CB[8] complexes, with fundamental implications in the design of functional 2D systems and crystalline materials.1,4-Bis(bromomethyl)benzene(cas: 623-24-5HPLC of Formula: 623-24-5) was used in this study.

1,4-Bis(bromomethyl)benzene(cas: 623-24-5) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals.HPLC of Formula: 623-24-5 Organobromine compounds have fallen under increased scrutiny for their environmental impact.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary