Tag: 200-300

Tojo, Toshifumi; Kubo, Yuhei; Kondo, Takeshi; Yuasa, Makoto published their research in Heterocycles in 2021. The article was titled 《Inverted positioning of DNMT1 inhibitor in the active site of DNMT1 caused by hydrophobicity/hydrophilicity of the terminal structure》.Quality Control of Methyl 3-(bromomethyl)benzoate The article contains the following contents:

DNA (cytosine-5)-methyltransferase 1 (DNMT1) is one of the enzymes that regulate DNA modification. It has been demonstrated that overexpression of DNMT1 is associated with the development of cancer, making DNMT1 an attractive mol. target for cancer therapy. Focused on the terminal structures of existing DNMT1 inhibitors, we designed and screened test compounds that possessed another functional group. Binding simulations identified compounds with a trifluoromethylphenyl group to insert in an inverted position against DNMT1 compared to existing DNMT1 inhibitors. These results suggest that the binding form against DNMT1 may depend on the hydrophobicity/hydrophilicity of the inhibitor′s terminal structure. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Quality Control of Methyl 3-(bromomethyl)benzoate)

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. Quality Control of Methyl 3-(bromomethyl)benzoate In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zuo, Hang-Dong; Zhu, Shan-Shan; Hao, Wen-Juan; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo published their research in ACS Catalysis in 2021. The article was titled 《Copper-Catalyzed Asymmetric Deconstructive Alkynylation of Cyclic Oximes》.Recommanded Product: 1-Bromo-3,4,5-trimethoxybenzene The article contains the following contents:

A general asym. deconstructive alkynylation of cyclic oximes with terminal alkynes was reported using copper/chiral cinchona alkaloid-based N,N,P-ligand catalysts and used to produce more than 60 examples of enantioenriched γ- and δ-alkynyl nitriles in a highly functional group-compatible manner. A wide variety of low-cost terminal alkynes and easily available cyclic oximes with substituent diversity were found to be well tolerated with the current asym. transformation with good functional group tolerance. The resulting chiral alkynyl nitriles were intermediates, which could be converted into skeletally diverse chiral mols., including δ-alkynyl amides, ε-alkenyl carbamate, and ζ-keto nitrile, under suitable reaction conditions. After reading the article, we found that the author used 1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8Recommanded Product: 1-Bromo-3,4,5-trimethoxybenzene)

1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.Recommanded Product: 1-Bromo-3,4,5-trimethoxybenzene1-Bromo-3,4,5-trimethoxybenzene can be used to synthesize N,N′-diarylated indolo[3,2-b]carbazole derivatives, which can find applications in electrophotography.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Wangbing; Lu, Zhichao; Hammond, Gerald B.; Xu, Bo published their research in Organic Letters in 2021. The article was titled 《Unbalanced-Ion-Pair-Catalyzed Nucleophilic Fluorination Using Potassium Fluoride》.Electric Literature of C9H9BrO2 The article contains the following contents:

An unbalanced ion pair promoter (e.g., tetrabutylammonium sulfate), consisting of a bulky and charge-delocalized cation and a small and charge-localized anion, greatly accelerated nucleophilic fluorinations using easy handling KF. An inexpensive and com. available ion-exchange resin was successfully converted to the polymer-supported ion pair promoter (A26-SO42-), which could be reused after filtration. Moreover, A26-SO42- could be used in continuous flow conditions. Water was well-tolerated. The experimental part of the paper was very detailed, including the reaction process of Benzyl 2-bromoacetate(cas: 5437-45-6Electric Literature of C9H9BrO2)

Benzyl 2-bromoacetate(cas: 5437-45-6) belongs to benzyl acetate. Benzyl acetate is a synthetic chemical produced for industry from benzyl alcohol and acetic acid, but is also naturally present in the essential oils of many plants, including jasmine and ylang ylang.Electric Literature of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2016,Agrawal, Neetesh; Machhi, Jatin; Rathwa, Virendra; Kanhed, Ashish M.; Patel, Sagar; Murumkar, Prashant; Gandhi, Hardik; Yadav, Mange Ram published 《Exploration of 6,7-dimethoxyquinazoline derivatives as dual acting α1- and AT1-receptor antagonists: synthesis, evaluation, pharmacophore & 3D-QSAR modeling and receptor docking studies》.RSC Advances published the findings.SDS of cas: 1129-28-8 The information in the text is summarized as follows:

The 6,7-dimethoxyquinazoline scaffold was further explored to provide dual acting α1- and AT1-receptor antagonists by synthesizing a series of derivatives and biol. evaluating the newly synthesized compounds Based on the biol. data of the current compounds and the earlier reported compounds, pharmacophore models were developed for α1- and AT1-receptor antagonist activities. Subsequently, 3D-QSAR models were also derived for antagonism for both the receptors. The developed 3D-QSAR models were validated using various statistical parameters and both the developed models were further validated using terazosin and prazosin as external compounds Docking studies confirmed receptor-ligand stabilizing interactions of the balanced-dual active antagonist (110) in the active sites of both α1- as well as AT1-receptors, the structures of which were obtained by homol. modeling. Two (42 and 110) of the compounds from the newly synthesized derivatives offered the highest potency (pA2 for α1 = 9.45 and 8.77 and AT1 = 8.36 and 8.60 resp.) with balanced modulation of both the receptors. Both the compounds were found to be slightly less potent to terazosin as α1-antagonists and equipotent to losartan as AT1-antagonists in the in vivo animal model. In the experiment, the researchers used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8SDS of cas: 1129-28-8)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) 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. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. SDS of cas: 1129-28-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electric Literature of C7H5Br2FOn September 16, 2021 ,《Structure-Activity Relationship and Mode-of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors》 was published in ChemMedChem. The article was written by Walter, Isabell; Adam, Sebastian; Gentilini, Maria Virginia; Kany, Andreas M.; Brengel, Christian; Thomann, Andreas; Sparwasser, Tim; Kohnke, Jesko; Hartmann, Rolf W.. The article contains the following contents:

CYP121 of Mycobacterium tuberculosis (Mtb) is an essential target for the development of novel potent drugs against tuberculosis (TB). Besides known antifungal azoles, further compounds of the azole class were recently identified as CYP121 inhibitors with antimycobacterial activity. Herein, we report the screening of a similarity-oriented library based on the former hit compound, the evaluation of affinity toward CYP121, and activity against M. bovis BCG. The results enabled a comprehensive SAR study, which was extended through the synthesis of promising compounds and led to the identification of favorable features for affinity and/or activity and hit compounds with 2.7-fold improved potency. Mode of action studies show that the hit compounds inhibit substrate conversion and highlighted CYP121 as the main antimycobacterial target of our compounds Exemplified complex crystal structures of CYP121 with three inhibitors reveal a common binding site. Engaging in both hydrophobic interactions as well as hydrogen bonding to the sixth iron ligand, our compounds block a solvent channel leading to the active site heme. Addnl., we report the first CYP inhibitors that are able to reduce the intracellular replication of M. bovis BCG in macrophages, emphasizing their potential as future drug candidates against TB. In the experimental materials used by the author, we found 4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5Electric Literature of C7H5Br2F)

4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5) 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. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. Electric Literature of C7H5Br2F

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Titanosilicate zeolite precursors for highly efficient oxidation reactions》 was written by Bai, Risheng; Navarro, M. Teresa; Song, Yue; Zhang, Tianjun; Zou, Yongcun; Feng, Zhaochi; Zhang, Peng; Corma, Avelino; Yu, Jihong. COA of Formula: C8H8Br2This research focused ontitanosilicate zeolite oxidation reaction. The article conveys some information:

Titanosilicate zeolites are catalysts of interest in the field of fine chems. However, the generation and accessibility of active sites in titanosilicate materials for catalyzing reactions with large mols. is still a challenge. Herein, we prepared titanosilicate zeolite precursors with open zeolitic structures, tunable pore sizes, and controllable Si/Ti ratios through a hydrothermal crystallization strategy by using quaternary ammonium templates. A series of quaternary ammonium ions are discovered as effective organic templates. The prepared amorphous titanosilicate zeolites with some zeolite framework structural order have extra-large micropores and abundant octahedrally coordinated isolated Ti species, which lead to a superior catalytic performance in the oxidative desulfurization of dibenzothiophene (DBT) and epoxidation of cyclohexene. It is anticipated that the amorphous prezeolitic titanosilicates will benefit the catalytic conversion of bulky mols. in a wide range of reaction processes.1,4-Bis(bromomethyl)benzene(cas: 623-24-5COA of Formula: C8H8Br2) 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. Organobromine compounds have fallen under increased scrutiny for their environmental impact. COA of Formula: C8H8Br2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Synthesis of Vinylic Sulfones in Aqueous Media》 was written by Goh, Jeffrey; Maraswami, Manikantha; Loh, Teck-Peng. Application In Synthesis of Benzyl 2-bromoacetateThis research focused onvinylic sulfone green preparation regioselective; allenic carbonyl compound sulfinic acid sulfination. The article conveys some information:

A green method for the sulfination of allenic carbonyl compounds to access a wide variety of vinylic sulfones RC(O)CH2C(SO2R1)=CH2 [R = hexyl, Ph, 2-furyl, etc.; R1 = Me, cyclopropyl, Ph, etc.] was developed. This reaction worked in aqueous media under very mild conditions. This reaction was atom economic. A wide variety of vinylic sulfones could be obtained in moderate to excellent yields with wide functional group tolerance. The efficiency of this method was demonstrated in some reactions where the desired products could be isolated by filtration. After reading the article, we found that the author used Benzyl 2-bromoacetate(cas: 5437-45-6Application In Synthesis of Benzyl 2-bromoacetate)

Benzyl 2-bromoacetate(cas: 5437-45-6) has been used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.Application In Synthesis of Benzyl 2-bromoacetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Dual Farnesoid X Receptor/Soluble Epoxide Hydrolase Modulators Derived from Zafirlukast》 was written by Schierle, Simone; Helmstaedter, Moritz; Schmidt, Jurema; Hartmann, Markus; Horz, Maximiliane; Kaiser, Astrid; Weizel, Lilia; Heitel, Pascal; Proschak, Anna; Hernandez-Olmos, Victor; Proschak, Ewgenij; Merk, Daniel. Quality Control of Methyl 3-(bromomethyl)benzoateThis research focused onZafirlukast derivative preparation farnesoid receptor epoxide hydrolase modulator steatohepatitis; NAFLD; NASH; Polypharmacology; non-alcoholic steatohepatitis; nuclear receptor. The article conveys some information:

The nuclear farnesoid X receptor (FXR) and the enzyme soluble epoxide hydrolase (sEH) are validated mol. targets to treat metabolic disorders such as non-alc. steatohepatitis (NASH). Their simultaneous modulation in vivo has demonstrated a triad of anti-NASH effects and thus may generate synergistic efficacy. Here we report dual FXR activators/sEH inhibitors derived from the anti-asthma drug Zafirlukast. Systematic structural optimization of the scaffold has produced favorable dual potency on FXR and sEH while depleting the original cysteinyl leukotriene receptor antagonism of the lead drug. The resulting polypharmacol. activity profile holds promise in the treatment of liver-related metabolic diseases. In the experimental materials used by the author, we found Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Quality Control 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. Quality Control of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Application In Synthesis of Methyl 3-(bromomethyl)benzoateIn 2022 ,《Cobalt-Catalyzed 1,1,3-Triborylation of Terminal Alkynes》 was published in Organometallics. The article was written by Yang, Xiaoxu; Ge, Shaozhong. The article contains the following contents:

The authors have developed a Co-catalyzed regioselective 1,1,3-triborylation reaction of terminal alkynes with pinacolborane (HBpin) with a catalyst generated in situ from readily available and bench-stable Co(acac)2 and xantphos. A variety of terminal alkynes undergo this triborylation reaction, affording the corresponding 1,1,3-triborylalkanes in good yields with high selectivity. The synthetic utility of this catalytic protocol was demonstrated by developing selective stepwise functionalization of 1,1,3-triborylalkane products. The results of mechanistic studies, such as conducting control experiments and D-labeling reactions, monitoring the reaction process, and identifying reaction intermediates, suggest that this 1,1,3-triborylation reaction proceeds through 1,3-diborylation of alken-1-ylboronates formed by Co-catalyzed hydroboration of terminal alkynes. The results came from multiple reactions, including the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Application In Synthesis of Methyl 3-(bromomethyl)benzoate)

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. In contrast, terrestrial plants account only for a few bromine-containing compounds.Application In Synthesis of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electric Literature of C9H9BrO2In 2021 ,《Green Catalyst- and Additive-Free Three-Component Deamination Cyclization Synthesis of 3-Substituted-4- oxo-2-quinazolinonyl Sulfides》 appeared in ChemistrySelect. The author of the article were Zheng, Lvyin; Xie, Zhen; Cai, Liuhuan; Liu, Gongping; Mei, Weijie; Zou, Xiaoying; Zhuo, Xiaoya; Fan, Xiaolin; Guo, Wei. The article conveys some information:

An efficient three-component deamination annulation of 2-aminobenzamides 2-NH2-RC6H4C(O)NH2 (R = H, 3-Me, 4-F, 5-Cl, etc.), isothiocyanates R1NCS (R1 = Ph, Bn, Me, etc.) and alkyl bromides R2R3CHBr (R2 = ethoxycarbonyl, benzyloxycarbonyl, Ph, etc.; R3 = H, Et, Pr, Bu, phenyl) for the synthesis of valuable 3-substituted-4-oxo-2-quinazolinonyl sulfides I (R4 = H, 6-Me, 7-Cl, 8-Br, etc.) is reported. The reaction proceeds in the absence of any external catalysts and additives. The facile process has the advantages of broad substrate scopes, mild reaction conditions and environmental friendliness, which might provide the synthetic applications for 3-substituted-4-oxo-2-quinazolinonyl sulfides I as potential anti-cancer agents in medicinal chem. The results came from multiple reactions, including the reaction of Benzyl 2-bromoacetate(cas: 5437-45-6Electric Literature of C9H9BrO2)

Benzyl 2-bromoacetate(cas: 5437-45-6) has been used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.Electric Literature of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary