Category: 1129-28-8

In 2017,van Haren, Matthijs J.; Taig, Rebecca; Kuppens, Jilles; Sastre Torano, Javier; Moret, Ed E.; Parsons, Richard B.; Sartini, Davide; Emanuelli, Monica; Martin, Nathaniel I. published 《Inhibitors of nicotinamide N-methyltransferase designed to mimic the methylation reaction transition state》.Organic & Biomolecular Chemistry published the findings.Related Products of 1129-28-8 The information in the text is summarized as follows:

Nicotinamide N-methyltransferase (NNMT) is an enzyme that catalyzes the methylation of nicotinamide to form N’-methylnicotinamide. Both NNMT and its methylated product have recently been linked to a variety of diseases, suggesting a role for the enzyme as a therapeutic target beyond its previously ascribed metabolic function in detoxification. We here describe the systematic development of NNMT inhibitors derived from the structures of the substrates involved in the methylation reaction. By covalently linking fragments of the NNMT substrates a diverse library of bisubstrate-like compounds was prepared The ability of these compounds to inhibit NNMT was evaluated providing valuable insights into the structural tolerances of the enzyme active site. These studies led to the identification of new NNMT inhibitors that mimic the transition state of the methylation reaction and inhibit the enzyme with activity on par with established methyltransferase inhibitors. After reading the article, we found that the author used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Related Products of 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. Related Products of 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Reference of Methyl 3-(bromomethyl)benzoateIn 2017 ,《Design and synthesis of a series of L-trans-4-substituted prolines as selective antagonists for the ionotropic glutamate receptors including functional and X-ray crystallographic studies of new subtype selective kainic acid receptor subtype 1 (Gluk1) antagonist (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid》 appeared in Journal of Medicinal Chemistry. The author of the article were Krogsgaard-Larsen, Niels; Delgar, Claudia G.; Koch, Karina; Brown, Patricia M. G. E.; Moeller, Charlotte; Han, Liwei; Huynh, Tri H. V.; Hansen, Stinne W.; Nielsen, Birgitte; Bowie, Derek; Pickering, Darryl S.; Kastrup, Jette Sandholm; Frydenvang, Karla; Bunch, Lennart. The article conveys some information:

Ionotropic glutamate receptor antagonists are valuable tool compounds for studies of neurol. pathways in the central nervous system. On the basis of rational ligand design, a new class of selective antagonists, represented by (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid (I), for cloned homomeric kainic acid receptors subtype 1 (GluK1) was attained (Ki = 4 μM). In a functional assay, I displayed full antagonist activity with IC50 = 6 ± 2 μM. A crystal structure was obtained of I when bound in the ligand binding domain of GluK1. A domain opening of 13-14° was seen compared to the structure with glutamate, consistent with I being an antagonist. A structure-activity relationship study showed that the chem. nature of the tethering atom (C, O, or S) linking the pyrrolidine ring and the Ph ring plays a key role in the receptor selectivity profile and that substituents on the Ph ring are well accommodated by the GluK1 receptor. The experimental process involved the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Reference of Methyl 3-(bromomethyl)benzoate)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. Reference of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: 1129-28-8In 2022 ,《Design, synthesis and biological evaluation of novel 1H-pyrazole-4-carbonyl-4,5,6,7-tetrahydrobenzo[b]thiophene derivatives as gut-selective NaPi2b inhibitors》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Ushiki, Yasunobu; Kawabe, Kenichi; Yamamoto-Okada, Kumiko; Uneuchi, Fumito; Asanuma, Yuta; Yamaguchi, Chitose; Ohta, Hiroshi; Shibata, Tsuyoshi; Abe, Tomohiro; Okumura-Kitajima, Lisa; Kosai, Yuki; Endo, Mayumi; Otake, Katsumasa; Munetomo, Eiji; Takahashi, Teisuke; Kakinuma, Hiroyuki. The article conveys some information:

Intestinal sodium-dependent phosphate transport protein 2b (SLC34A2, NaPi2b) inhibitors are expected to be potential new candidates for anti-hyperphosphatemia drugs. However, a risk of on-target side effects based on the inhibition of NaPi2b in the lung and testis has been reported. To identify gut-selective (minimally systemic) NaPi2b inhibitors, authors prepared and evaluated 1H-pyrazole-4-carbonyl-4,5,6,7-tetrahydrobenzo[b]thiophene derivatives with highly polar functional groups to reduce systemic exposure. As a result, compounds I (R = NH(CH)2O(CH2)2O(CH2)2O(CH2)2OH) and I (R = NHC(Me)2C(O)NH(CH2)2N(Me)2) showed a good activity in vitro and a low bioavailability in Sprague-Dawley (SD) rats. However, these compounds did not suppress phosphate absorption in SD rats. This lack of in vivo efficacy could be due to the high hydrophobicity of these compounds The results of further investigations of other classes of compounds with appropriate phys. properties will be reported in due course. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) 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.Recommanded Product: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

HPLC of Formula: 1129-28-8In 2022 ,《BF3 Mediated [1,5]-Hydride Shift Triggered Cyclization: Thioethers Join the Game》 was published in European Journal of Organic Chemistry. The article was written by Zaitseva, Elvira R.; Smirnov, Alexander Yu.; Timashev, Vladimir I.; Malyshev, Vadim I.; Zhigileva, Ekaterina A.; Mikhaylov, Andrey A.; Medvedev, Michael G.; Baleeva, Nadezhda S.; Baranov, Mikhail S.. The article contains the following contents:

2-(2-(Benzylthio)benzylidene)malonates can underwent the 1,5-hydride shift triggered cyclization resulting in thiachromanes in 45-84% yield. Boron trifluoride as a reaction promotor is the key to success. DFT calculations revealed that the reaction proceeds via a chelate BF2 complex, which was confirmed by NMR-anal. Exptl. and theor. comparison of nitrogen, sulfur and carbon analogs revealed that sulfur derivatives have the highest activation barrier for the hydride transfer due to the unfavorable transition state geometry, which explains the lack of previous reports on 1,5-hydride shifts in (alkylthio)styrenes. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8HPLC of Formula: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. HPLC of Formula: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Maezaki, Hironobu; Tawada, Michiko; Yamashita, Tohru; Banno, Yoshihiro; Miyamoto, Yasufumi; Yamamoto, Yoshio; Ikedo, Koji; Kosaka, Takuo; Tsubotani, Shigetoshi; Tani, Akiyoshi; Asakawa, Tomoko; Suzuki, Nobuhiro; Oi, Satoru published 《Design of potent dipeptidyl peptidase IV (DPP-4) inhibitors by employing a strategy to form a salt bridge with Lys554》.Bioorganic & Medicinal Chemistry Letters published the findings.Safety of Methyl 3-(bromomethyl)benzoate The information in the text is summarized as follows:

We report a design strategy to obtain potent DPP-4 inhibitors by incorporating salt bridge formation with Lys554 in the S1′ pocket. By applying the strategy to the previously identified templates, quinoline 4 and pyridines 16a, 16b, and 17 have been identified as subnanomolar or nanomolar inhibitors of human DPP-4. Docking studies suggested that a hydrophobic interaction with Tyr547 as well as the salt bridge interaction is important for the extremely high potency. The design strategy would be useful to explore a novel design for DPP-4 inhibitors having a distinct structure with a unique binding mode.Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Safety of Methyl 3-(bromomethyl)benzoate) was used in this study.

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Safety of Methyl 3-(bromomethyl)benzoateSome of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Yuan, William; Jiang, Dadi; Nambiar, Dhanya K.; Liew, Lydia P.; Hay, Michael P.; Bloomstein, Joshua; Lu, Peter; Turner, Brandon; Le, Quynh-Thu; Tibshirani, Robert; Khatri, Purvesh; Moloney, Mark G.; Koong, Albert C. published 《Chemical Space Mimicry for Drug Discovery》.Journal of Chemical Information and Modeling published the findings.Recommanded Product: 1129-28-8 The information in the text is summarized as follows:

The authors describe a new library generation method, Machine-based Identification of Mols. Inside Characterized Space (MIMICS) that generates sets of mols. inspired by a text-based input. MIMICS-generated libraries were found to preserve distributions of properties while simultaneously increasing structural diversity. Newly identified MIMICS-generated compounds were found to be bioactive as inhibitors of specific components of the unfolded protein response (UPR) and the VEGFR2 pathway in cell-based assays, thus confirming that applicability of this methodol. towards drug design applications. Wider application of MIMICS could facilitate the efficient utilization of chem. space. In the experiment, the researchers used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) 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. Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products. Recommanded Product: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Xanthates as Thiol Surrogates for Nucleophilic Substitution with Aryl Halides》 was written by Sokolov, Anatolii I.; Mikhaylov, Andrey A.; Baleeva, Nadezhda S.; Baranov, Mikhail S.. HPLC of Formula: 1129-28-8This research focused onxanthate aryl chloride nucleophilic aromatic substitution reaction; aryl thioalkane preparation. The article conveys some information:

An unprecedented xanthate-based protocol for the preparation of aryl-alkyl thioethers was reported. Heating xanthates with aryl halides and namely cesium carbonate in methanol provides the target thioethers in generally good yields within short reaction times. This method allowed one to avoid contact with odorous thiols and also to introduce substituents of which the corresponding thiols are virtually unavailable or inconvenient in use. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8HPLC of Formula: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. HPLC of Formula: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Ni-catalyzed regioselective 1,2-dialkylation of alkenes enabled by the formation of two C(sp3)-C(sp3) bonds》 was published in Journal of the American Chemical Society in 2020. These research results belong to Dhungana, Roshan K.; Sapkota, Rishi R.; Wickham, Laura M.; Niroula, Doleshwar; Giri, Ramesh. Safety of Methyl 3-(bromomethyl)benzoate The article mentions the following:

The authors disclosed a Ni-catalyzed vicinal difunctionalization of alkenes with benzyl halides and alkylzinc reagents, which produces products with two new alkyl-alkyl bonds. This alkene dialkylation is effective in combining secondary benzyl halides and secondary alkylzinc reagents with internal alkenes, which furnishes products with three contiguous all-carbon secondary stereocenters. The products can be readily elaborated to access complex tetraene, benzosuberene, and bicyclodecene cores. The reaction also features as the most efficient alkene difunctionalization process to date with catalyst loadings down to 500 ppm and the catalytic turnover number (TON) and turnover frequency (TOF) registering up to 2 x 103 and 165 h-1 at rt, resp. In the experiment, the researchers used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Safety of Methyl 3-(bromomethyl)benzoate)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) 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.Safety of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dhungana, Roshan K.; Sapkota, Rishi R.; Wickham, Laura M.; Niroula, Doleshwar; Shrestha, Bijay; Giri, Ramesh published their research in Angewandte Chemie, International Edition in 2021. The article was titled 《Ni-Catalyzed Arylbenzylation of Alkenylarenes: Kinetic Studies Reveal Autocatalysis by ZnX2》.Category: bromides-buliding-blocks The article contains the following contents:

We report a Ni-catalyzed regioselective arylbenzylation of alkenylarenes with benzyl halides and arylzinc reagents. The reaction furnishes differently substituted 1,1,3-triarylpropyl structures that are reminiscent of the cores of oligoresveratrol natural products. The reaction is also compatible for the coupling of internal alkenes, secondary benzyl halides and variously substituted arylzinc reagents. Kinetic studies reveal that the reaction proceeds with a rate-limiting single-electron-transfer process and is autocatalyzed by in-situ-generated ZnX2. The reaction rate is amplified by a factor of three through autocatalysis upon addition of ZnX2. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Category: bromides-buliding-blocks)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Sandford, Christopher; Fries, Lydia R.; Ball, Tyler E.; Minteer, Shelley D.; Sigman, Matthew S.. Computed Properties of C9H9BrO2. The article was titled 《Mechanistic Studies into the Oxidative Addition of Co(I) Complexes: Combining Electroanalytical Techniques with Parameterization》. The information in the text is summarized as follows:

The oxidative addition of organic electrophiles into electrochem. generated Co(I) complexes has been widely utilized as a strategy to produce carbon-centered radicals when cobalt is ligated by a polydentate ligand. Changing to a bidentate ligand provides the opportunity to access discrete Co(III)-C bonded complexes for alternative reactivity, but knowledge of how ligand and/or substrate structures affect catalytic steps is pivotal to reaction design and catalyst optimization. In this vein, exptl. studies that can determine the exact nature of elementary organometallic steps remain limited, especially for single-electron oxidative addition pathways. Herein, we utilize cyclic voltammetry combined with simulations to obtain kinetic and thermodn. properties of the two-step, halogen-atom abstraction mechanism, validated by analyzing kinetic isotope and substituent effects. Complex Hammett relationships could be disentangled to allow understanding of individual effects on activation energy barriers and equilibrium constants, and DFT-derived parameters used to build predictive statistical models for rates of new ligand/substrate combinations. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Computed Properties of C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. Computed Properties of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary