Month: October 2022

In 2016,Joshi, Shrinivas D.; Kumar, Devendra; Dixit, Sheshagiri R.; Tigadi, Nageshwar; More, Uttam A.; Lherbet, Christian; Aminabhavi, Tejraj M.; Yang, Kap Seung published 《Synthesis, characterization and antitubercular activities of novel pyrrolyl hydrazones and their Cu-complexes》.European Journal of Medicinal Chemistry published the findings.Electric Literature of C6H5Br2N The information in the text is summarized as follows:

Novel pyrrolyl hydrazones and their copper complexes were synthesized and characterized using anal. and spectral techniques to show the tetrahedral geometry for Cu(II) complexes. Biol. activities of hydrazones were assessed to understand the role of metal ion on their biol. activity and the effect of pyrrolyl hydrazones. In vitro antitubercular activity against Mycobacterium tuberculosis of the metal complexes exhibited the highest antitubercular activity that are quite close to rifampicin (0.4 μg/mL), giving a MIC of 0.8 μg/mL. All other compounds showed good activity with the MIC values ranging from 1.6 to 100 μg/mL. A comparative study of inhibition values of the ligands and their complexes showed higher antimicrobial activity of the complexes than the ligands. Some compounds have a good activity against InhA and in particular, compounds 12r, 13b and 13r exhibited > 60% binding with the enzyme even at 5 μM (exhibited good IC50 up to 2.4 μM). Most of the active mols. have a very less cytotoxicity against the human lung cancer cell-line A549. The docking and 3D-QSAR studies were carried out to provide some insights into the mechanism of action for this class of compounds3,5-Dibromoaniline(cas: 626-40-4Electric Literature of C6H5Br2N) was used in this study.

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Electric Literature of C6H5Br2N

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

In 2017,Bhattarai, Deepak; Jung, Joo Hyun; Han, Seunghyeon; Lee, Hankyu; Oh, Soo Jin; Ko, Hyuk Wan; Lee, Kyeong published 《Design, synthesis, and biological evaluation of structurally modified isoindolinone and quinazolinone derivatives as hedgehog pathway inhibitors》.European Journal of Medicinal Chemistry published the findings.Application of 76006-33-2 The information in the text is summarized as follows:

The Hedgehog (Hh) signaling pathway is associated with diverse aspects of cellular events, such as cell migration, proliferation, and differentiation throughout embryonic development and tissue patterning. An abnormal Hh signaling pathway is linked to numerous human cancers, including basal cell carcinoma (BCC), medulloblastoma (MB), lung cancer, prostate cancer, and ovarian cancer, and it is therefore a promising target in cancer therapy. Using a structure-hopping approach, we designed new Hh signaling pathway inhibitors with isoindolinone or quinazolinone moieties, which were synthesized and biol. evaluated using an 8xGli-luciferase (Gli-Luc) reporter assay in NIH3T3 cells. Compounds with isoindolinone scaffolds demonstrated moderate Hh inhibitory activity; whereas quinazolinone derivatives exhibited good potency with submicromolar IC50 values and the analog I showed nanomolar IC50 value. Although sonidegib shows a decrease in inhibitory effect on vismodegib resistance-conferring Smo mutants, the structurally modified new compounds not only possess the pharmacophoric properties of Hh pathway inhibition but also preserve the suppressive potency in drug-resistant Smo mutants. Mechanistically, quinazolinone derivatives I and II suppress Hh signaling by blocking Smo and Gli translocation into the cilia, similar to vismodegib and sonidegib. Addnl., the human microsomal stability of the representative analogs I and II were determined to be comparable to that of the reference compound sonidegib. Thus, these new scaffolds can serve as a platform for the development of novel cancer therapeutics targeting the Hh pathway. The results came from multiple reactions, including the reaction of 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Application of 76006-33-2)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) 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. Application of 76006-33-2 Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Maezono, Shizuka Mei Bautista; Park, Ga Eul; Lee, Yong Rok published 《Regiospecific construction of diverse and polyfunctionalized γ-pyrone cores by indium(III)-catalyzed annulation of diazodicarbonyls with active methylenes, 4-hydroxycoumarins, or 4-hydroxyquinolinone》.Organic Chemistry Frontiers published the findings.Synthetic Route of Br3In The information in the text is summarized as follows:

An efficient and novel construction of diverse and polyfunctionalized γ-pyrones has been developed by InBr3-catalyzed annulation of various cyclic and acyclic diazo compounds with multifarious active methylenes, 4-hydroxycoumarins, or 4-hydroxyquinolinone. This technique proceeds through a cascade of carbene generation/ketene formation/conjugate addition/intramol. cyclization/elimination reactions. In addition, transformation of the synthesized compound for further functionalization is realized.Indium(III) bromide(cas: 13465-09-3Synthetic Route of Br3In) was used in this study.

Indium(III) bromide(cas: 13465-09-3) is used in organic synthesis as a water tolerant Lewis acid. It efficiently catalyzes the three-component coupling of β-keto esters, aldehydes and urea (or thiourea) to afford the corresponding dihydropyrimidinones.Synthetic Route of Br3In

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,European Journal of Organic Chemistry included an article by Esteves, Henrique A.; Darbem, Mariana P.; Pimenta, Daniel C.; Stefani, Helio A.. Related Products of 3395-91-3. The article was titled 《Carbonylative Negishi-Type Coupling of 2-Iodoglycals with Alkyl and Aryl Halides》. The information in the text is summarized as follows:

C-Glycosides are valuable organic compounds in the field of medicinal chem. due to their ubiquity inside living systems and pronounced biol. activity. Herein, we describe an approach to alkyl-ketones bearing glycal units, e.g. I, via the Pd-catalyzed carbonylative coupling of 2-iodoglycals and alkyl and aryl halides. Examples bearing a variety of functional groups are presented as well as a mechanistic proposal for this transformation. In the experiment, the researchers used Methyl 3-bromopropanoate(cas: 3395-91-3Related Products of 3395-91-3)

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.Related Products of 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Liquid-Liquid Equilibrium Measurements for the Extraction of Pyridine and Benzothiazole from n-Alkanes Using Deep Eutectic Solvents》 were Warrag, Samah E. E.; Alli, Ruth D.; Kroon, Maaike C.. And the article was published in Journal of Chemical & Engineering Data in 2019. COA of Formula: C19H18BrP The author mentioned the following in the article:

The liquid-liquid extraction of a nitrogen-containing aromatic “”pyridine”” and nitrogen/sulfur-containing aromatic “”benzothiazole”” from n-hexane and n-heptane using deep eutectic solvents (DESs) was studied in this work. A DES composed of methyltriphenylphosphonium bromide as hydrogen bond acceptor and ethylene glycol as hydrogen bond donor was selected for this separation The main objective of this work was to assess whether the same DES can be applied for the denitrogenation “”extraction of pyridine”” and desulfurization “”extraction of benzothiazole”” of fuels. Moreover, the influence of n-alkane chain length on the extraction performance was studied. First, the solubilities of the pyridine, benzothiazole, n-hexane, and n-heptane in the DES were determined at 298.2 K and 1.01 bar. Thereafter, the pseudoternary liquid-liquid equilibrium (LLE) data for the four systems {n-hexane + pyridine + DES}, {n-heptane + pyridine + DES}, {n-hexane + benzothiazole + DES}, and {n-heptane + benzothiazole + DES} were determined at a temperature of 298.2 K and a pressure of 1.01 bar. The assumption of a pseudoternary system was validated showing that none of the DES’ constituents appears in the raffinate phase. From the LLE data the distribution ratios and selectivites of pyridine and benzothiazole were calculated Both pyridine and benzothiazole were successfully extracted from their mixtures with n-hexane and n-heptane, with pyridine showing higher selectivity than benzothiazole and almost similar distribution ratios. Finally, The LLE data were correlated with the nonrandom two-liquid model using ASPEN PLUS. The modeled results showed a strong correlation with the exptl. results (relative mean standard deviation (%)) = 0.04-0.36. After reading the article, we found that the author used Methyltriphenylphosphonium bromide(cas: 1779-49-3COA of Formula: C19H18BrP)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.COA of Formula: C19H18BrP

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《A Bioorthogonal Click Chemistry Toolbox for Targeted Synthesis of Branched and Well-Defined Protein-Protein Conjugates》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Baalmann, Mathis; Neises, Laura; Bitsch, Sebastian; Schneider, Hendrik; Deweid, Lukas; Werther, Philipp; Ilkenhans, Nadja; Wolfring, Martin; Ziegler, Michael J.; Wilhelm, Jonas; Kolmar, Harald; Wombacher, Richard. Application In Synthesis of 8-Bromooctanoic acid The article mentions the following:

Bioorthogonal chem. holds great potential to generate difficult-to-access protein-protein conjugate architectures. Current applications are hampered by challenging protein expression systems, slow conjugation chem., use of undesirable catalysts, or often do not result in quant. product formation. Here the authors present a highly efficient technol. for protein functionalization with commonly used bioorthogonal motifs for Diels-Alder cycloaddition with inverse electron demand (DAinv). With the aim of precisely generating branched protein chimeras, the authors systematically assessed the reactivity, stability and side product formation of various bioorthogonal chemistries directly at the protein level. The authors demonstrate the efficiency and versatility of the authors′ conjugation platform using different functional proteins and the therapeutic antibody trastuzumab. This technol. enables fast and routine access to tailored and hitherto inaccessible protein chimeras useful for a variety of scientific disciplines. The authors expect the authors′ work to substantially enhance antibody applications such as immunodetection and protein toxin-based targeted cancer therapies. In the experiment, the researchers used many compounds, for example, 8-Bromooctanoic acid(cas: 17696-11-6Application In Synthesis of 8-Bromooctanoic acid)

8-Bromooctanoic acid(cas: 17696-11-6) acid is used in the synthesis of 8-(N-Methyl-4,4′-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid. And 8-Bromooctanoic Acid is a useful compound for sonodynamic therapy.Application In Synthesis of 8-Bromooctanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Prediction of Electrical Conductivity of Deep Eutectic Solvents Using COSMO-RS Sigma Profiles as Molecular Descriptors: A Quantitative Structure-Property Relationship Study》 was written by Lemaoui, Tarek; Darwish, Ahmad S.; Hammoudi, Nour El Houda; Abu Hatab, Farah; Attoui, Ayoub; Alnashef, Inas M.; Benguerba, Yacine. SDS of cas: 1779-49-3 And the article was included in Industrial & Engineering Chemistry Research in 2020. The article conveys some information:

This work presents the development of mol.-based math. models for the prediction of elec. conductivity of deep eutectic solvents (DESs). Two new quant. structure-property relation (QSPR) models based on conductor-like screening model for real solvent (COSMO-RS) mol. charge d. distributions (Sσ-profiles) were developed using the data obtained from the literature. The data comprise 236 exptl. elec. conductivity measurements for 21 ammonium- and phosphonium-based DESs, covering a wide range of temperatures and molar ratios. First, the hydrogen-bond acceptors (HBAs) and hydrogen-bond donors (HBDs) of each DES were successfully modeled using COSMO-RS. Then, the calculated Sσ-profiles were used as mol. descriptors. The relation between the conductivity and the descriptors in both models was expressed via multiple linear regression. The first model accounted for the structure of the HBA, the HBD, the molar ratio, and temperature, whereas the second model addnl. incorporated the interactions between the mol. descriptors. By accounting for the interactions, the regression coefficient (R2) of the predictive model can be increased from 0.801 to 0.985. Addnl., the scope and reliability of the models were further assessed using the applicability domain anal. The findings showed that QSPR models based on Sσ-profiles as mol. descriptors are excellent at describing the properties of DESs. Accordingly, the obtained model in this work can be used as a useful guideline in selecting DESs with the desired elec. conductivity for industrial applications.Methyltriphenylphosphonium bromide(cas: 1779-49-3SDS of cas: 1779-49-3) was used in this study.

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.SDS of cas: 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Lessons in Strain and Stability: Enantioselective Synthesis of (+)-[5]-Ladderanoic Acid》 was written by Hancock, Erin N.; Kuker, Erin L.; Tantillo, Dean J.; Brown, M. Kevin. HPLC of Formula: 17696-11-6 And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

The synthesis of structurally complex and highly strained natural products provides unique challenges and unexpected opportunities for the development of new reactions and strategies. Herein, the synthesis of (+)-[5]-ladderanoic acid (I) is reported. En route to the target, unusual and unexpected strain release driven transformations were uncovered. This occurrence required a drastic revision of the synthetic design that ultimately led to the development of a novel stepwise cyclobutane assembly by an allylboration/Zweifel olefination sequence. In the experiment, the researchers used 8-Bromooctanoic acid(cas: 17696-11-6HPLC of Formula: 17696-11-6)

8-Bromooctanoic acid(cas: 17696-11-6) acid is used in the synthesis of 8-(N-Methyl-4,4′-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid. And 8-Bromooctanoic Acid is a useful compound for sonodynamic therapy.HPLC of Formula: 17696-11-6

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary