Month: October 2022

COA of Formula: C8H7BrO2In 2017 ,《Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1》 appeared in Journal of Medicinal Chemistry. The author of the article were Guzik, Katarzyna; Zak, Krzysztof M.; Grudnik, Przemyslaw; Magiera, Katarzyna; Musielak, Bogdan; Torner, Ricarda; Skalniak, Lukasz; Domling, Alexander; Dubin, Grzegorz; Holak, Tad A.. The article conveys some information:

Blockade of the PD-1/PD-L1 immune checkpoint pathway with monoclonal antibodies has provided significant advances in cancer treatment. The antibody-based immunotherapies carry a number of disadvantages such as the high cost of the antibodies, their limited half-life, and immunogenicity. Development of small-mol. PD-1/PD-L1 inhibitors that could overcome these drawbacks is slow because of the incomplete structural information for this pathway. The first chem. PD-1/PD-L1 inhibitors have been recently disclosed by Bristol-Myers Squibb. Here we present NMR and X-ray characterization for the two classes of these inhibitors. The X-ray structures of the PD-L1/inhibitor complexes reveal one inhibitor mol. located at the center of the PD-L1 homodimer, filling a deep hydrophobic channel-like pocket between two PD-L1 mols. Derivatives of (2-methyl-3-biphenylyl)methanol exhibit the structures capped on one side of the channel, whereas the compounds based on [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol induce an enlarged interaction interface that results in the open “”face-back”” tunnel through the PD-L1 dimer. In the experiment, the researchers used 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2COA of Formula: C8H7BrO2)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) 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. COA of Formula: C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

COA of Formula: C9H9BrO2In 2021 ,《Metal-binding Q-proline macrocycles》 appeared in Journal of Organic Chemistry. The author of the article were Northrup, Justin D.; Wiener, Jesse A.; Hurley, Matthew F. D.; Hou, Chun-Feng David; Keller, Taylor M.; Baxter, Richard H. G.; Zdilla, Michael J.; Voelz, Vincent A.; Schafmeister, Christian E.. The article conveys some information:

We introduce the efficient Fmoc-SPPS and peptoid synthesis of Q-proline-based, metal-binding macrocycles (QPMs), which bind metal cations and display nine functional groups. Metal-free QPMs are disordered, evidenced by NMR and a crystal structure of QPM-3 obtained through racemic crystallization Upon addition of metal cations, QPMs adopt ordered structures. Notably, the addition of a second functional group at the hydantoin amide position (R2) converts the proline ring from Cγ-endo to Cγ-exo, due to steric interactions. In the experiment, the researchers used many compounds, for example, Benzyl 2-bromoacetate(cas: 5437-45-6COA of Formula: 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.COA of Formula: C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

SDS of cas: 6825-20-3In 2020 ,《Dual-Function Fluorescent Covalent Organic Frameworks: HCl Sensing and Photocatalytic H2 Evolution from Water》 appeared in Advanced Optical Materials. The author of the article were EL-Mahdy, Ahmed F. M.; Elewa, Ahmed M.; Huang, Sheng-Wen; Chou, Ho-Hsiu; Kuo, Shiao-Wei. The article conveys some information:

Two ultrastable luminescent covalent organic frameworks (COFs), PyTA-BC and PyTA-BC-Ph, are synthesized through polycondensations of 4,4′,4”,4”’-pyrene-1,3,6,8-tetrayltetraaniline (PyTA-4NH2) with two carbazole-based derivatives having different degrees of conjugation. The PyTA-BC and PyTA-BC-Ph COFs exhibit ultrahigh thermal stabilities (up to 421°C), excellent crystallinity, and high Brunauer-Emmett-Teller surface areas (up to 1445 m2 g-1). These COFs display strong fluorescence emissions in various solvents, with their emission maxima gradually red-shifting upon increasing the polarity of the solvent (solvatochromism). Upon exposure to HCl, they respond very rapidly and sensitively in terms of changing their colors and fluorescence emission maxima. In the presence of a sacrificial electron donor, these COFs mediate the highly efficient photocatalytic evolution of H2 from water. In the absence of a noble metal cocatalyst, the COFs and ascorbic acid provide a photocatalytic H2 production of up to 1183μmol g-1 h-1 (λ ≥ 420 nm); this value is the highest reported to date for a COF. Such COFs appear to be potentially useful as chemosensors for the naked-eye and sensitive spectroscopic detection of HCl and as cocatalysts for the sustainable photocatalytic production of H2 from water.3,6-Dibromo-9H-carbazole(cas: 6825-20-3SDS of cas: 6825-20-3) was used in this study.

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a pharmaceutical intermediate, and also an important intermediate of synthesizing optoelectronic materials. It has been used in the preparation of N-(2-hydroxyethyl)-3,6-dibromocarbazole.SDS of cas: 6825-20-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Product Details of 2969-81-5In 2020 ,《In situ NMR metrology reveals reaction mechanisms in redox flow batteries》 appeared in Nature (London, United Kingdom). The author of the article were Zhao, Evan Wenbo; Liu, Tao; Jonsson, Erlendur; Lee, Jeongjae; Temprano, Israel; Jethwa, Rajesh B.; Wang, Anqi; Smith, Holly; Carretero-Gonzalez, Javier; Song, Qilei; Grey, Clare P.. The article conveys some information:

Large-scale energy storage is becoming increasingly critical to balancing renewable energy production and consumption. Organic redox flow batteries, made from inexpensive and sustainable redox-active materials, are promising storage technologies that are cheaper and less environmentally hazardous than vanadium-based batteries, but they have shorter lifetimes and lower energy d. Thus, fundamental insight at the mol. level is required to improve performance. Here we report two in situ NMR methods of studying redox flow batteries, which are applied to two redox-active electrolytes: 2,6-dihydroxyanthraquinone (DHAQ) and 4,4′-((9,10-anthraquinone-2,6-diyl)dioxy) dibutyrate (DBEAQ). In the first method, we monitor the changes in the 1H NMR shift of the liquid electrolyte as it flows out of the electrochem. cell. In the second method, we observe the changes that occur simultaneously in the pos. and neg. electrodes in the full electrochem. cell. Using the bulk magnetization changes (observed via the 1H NMR shift of the water resonance) and the line broadening of the 1H shifts of the quinone resonances as a function of the state of charge, we measure the potential differences of the two single-electron couples, identify and quantify the rate of electron transfer between the reduced and oxidized species, and determine the extent of electron delocalization of the unpaired spins over the radical anions. These NMR techniques enable electrolyte decomposition and battery self-discharge to be explored in real time, and show that DHAQ is decomposed electrochem. via a reaction that can be minimized by limiting the voltage used on charging. We foresee applications of these NMR methods in understanding a wide range of redox processes in flow and other electrochem. systems. The results came from multiple reactions, including the reaction of Ethyl 4-bromobutyrate(cas: 2969-81-5Product Details of 2969-81-5)

Ethyl 4-bromobutyrate(cas: 2969-81-5) 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.Product Details of 2969-81-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: (Bromomethyl)cyclopropaneIn 2019 ,《Introducing broadened antibacterial activity to rhodanine derivatives targeting enoyl-acyl carrier protein reductase》 appeared in Chemical & Pharmaceutical Bulletin. The author of the article were Sun, Zhi-Gang; Xu, Yun-Jie; Xu, Jian-Fei; Liu, Qi-Xing; Yang, Yu-Shun; Zhu, Hai-Liang. The article conveys some information:

Broadened antibacterial activity was introduced to rhodanine derivatives targeting Mycobacterial tuberculosis enoyl-acyl carrier protein reductase (Mtb InhA) by recruiting feature of xacins to bring DNA Gyrase B inhibitory capability. This is significant for preventing further bacterial injections in the tuberculosis treatment. The most potent compound Cy14 suggested comparable bioactivity (IC50 = 3.18 microM for Mtb InhA; IC50 = 10 nM for DNA Gyrase B) with pos. controls. Structure-activity relationship discussion and mol. docking model revealed the significance of rhodanine moiety and derived methoxyl on meta-position, pointing out orientations for future modification. In the experiment, the researchers used many compounds, for example, (Bromomethyl)cyclopropane(cas: 7051-34-5Recommanded Product: (Bromomethyl)cyclopropane)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.Recommanded Product: (Bromomethyl)cyclopropane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

HPLC of Formula: 586-76-5In 2022 ,《SCP-7, a germacrane-type sesquiterpene lactone derivative, induces ROS-mediated apoptosis in NSCLC cells in vitro and in vivo》 was published in European Journal of Pharmacology. The article was written by Zhang, Yang-Yang; Ren, Hui; Yan, Qiu-Lin; Li, Ya-Ling; Liu, Qingbo; Yao, Guo-Dong; Song, Shao-Jiang. The article contains the following contents:

Scabertopin (SCP), an abundant germacrane-type sesquiterpene lactone (SLC) isolated from Elephantopus scaber, was selected as a reference compound for modification and evaluation as anticancer agents for non-small cell lung cancer (NSCLC) treatment. All derivatives (SCP-1-SCP-13) except for SCP-3 showed potential inhibitory effect (IC50 5.2-9.7 μM) against A549 cells. The most promising compound SCP-7 also showed good cytotoxic activity against another two NSCLC cell lines (H1299 and H460), with IC50 value of 4.4 and 8.9 μM, resp. Furthermore, SCP-7 could induce apoptotic cell death that was associated with the increased reactive oxygen species (ROS) generation, the loss of mitochondrial membrane potential, Bcl-2 family proteins modulation, caspases-3 and PARP cleavage. In addition, SCP-7 also inhibited cell growth by increasing Bax expression and reducing the Ki-67 pos. cells in vivo, but there were no obvious toxic and side effects on internal organs. Mechanistically, PharmMapper, mol. docking and Western blot anal. revealed that SCP-7 might interact with the epidermal growth factor receptor (EGFR) and inhibit its expression in lung cancer cells. Together, above results suggest further effective application of SCP-7 as a potential anti-tumor agent in the treatment of NSCLC. After reading the article, we found that the author used 4-Bromobenzoic acid(cas: 586-76-5HPLC of Formula: 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. 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.HPLC of Formula: 586-76-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electric Literature of Br3InIn 2021 ,《Indium-Catalyzed Deoxygenation of Sulfoxides with Hydrosilanes》 was published in Asian Journal of Organic Chemistry. The article was written by Sakai, Norio; Shimada, Retsu; Ogiwara, Yohei. The article contains the following contents:

Described herein was that a novel InBr3/PhSiH3 reducing system in a 1,4-dioxane solution smoothly and effectively undertook deoxygenation of a variety of sulfoxides led to the facile preparation of sulfide derivatives R1SR2 [R1 = Ph, cyclohexyl, n-Bu, etc.; R2 = Ph, Me, Bn, etc.; R1R2 = (CH2)4]. Also, it was demonstrated that the reducing system showed a higher reactivity toward sulfoxides than that toward commonly reducible functional groups, such as carboxylic acids, esters, amides and sulfones. The experimental part of the paper was very detailed, including the reaction process of Indium(III) bromide(cas: 13465-09-3Electric Literature of Br3In)

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.Electric Literature of Br3In

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Computed Properties of C4H2Br2SIn 2021 ,《Steering Scholl Oxidative Heterocoupling by Tuning Topology and Electronics for Building Thiananographenes and Their Functional N-/C-Congeners》 was published in Chemistry – A European Journal. The article was written by Maddala, Sudhakar; Panua, Anirban; Venkatakrishnan, Parthasarathy. The article contains the following contents:

This report systematically demonstrates how topol. variation of electronics and reactivity in thiophene substrates can lead to efficient oxidative heterocoupling. Bis(biaryl)thiophenes having reactive α- and β-positions open are the choice of substrates. The cyclizing arene partners are so electronically tuned for thiophene’s reactivity (at α- and β-) as to establish C-C bond oxidatively generating sym. as well as unsym. diphenanthrothiophenes which are basic thiananographenes. Depending on the cyclizing-couple’s electronics, either arene- or thiophene-centered oxidation initiates C-C heterocoupling. The potential utility of these simple thiananographenes is further unfurled by converting them to functional N-/C-graphene segments that are aza-corannulene precursor and tetrabenzospirobifluorene. Their bright emission and extended electrochem. stability are remarkable that may be potentially important and applicable. The results came from multiple reactions, including the reaction of 2,5-Dibromothiophene(cas: 3141-27-3Computed Properties of C4H2Br2S)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene) .Computed Properties of C4H2Br2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Identification and structure-activity relationship exploration of uracil-based benzoic acid and ester derivatives as novel dipeptidyl Peptidase-4 inhibitors for the treatment of type 2 diabetes mellitus》 was written by Li, Qing; Deng, Xiaoyan; Jiang, Neng; Meng, Liuwei; Xing, Junhao; Jiang, Weizhe; Xu, Yanjun. Recommanded Product: Methyl 3-(bromomethyl)benzoateThis research focused onuracil benzoic acid ester dipeptidyl peptidase inhibitor diabetes mellitus; Benzoic acid; DPP-4 inhibitor; Ester; SAR exploration; Type 2 diabetes. The article conveys some information:

Our previously reported carboxyl-containing DPP-4 inhibitors were highly potent but were poorly bioavailable. Esters of the carboxyl analogs exhibited a significant DPP-4 potency loss albeit with enhanced oral absorption. Herein, we described identification and structure-activity relationship (SAR) exploration of a novel series of benzoic acid and ester derivatives as low single-digit nanomolar DPP-4 inhibitors. Importantly, the esters displayed comparable activities to the acids counterparts. Mol. simulation revealed that ester adopts a similar binding mode to acid. Moreover, the selected esters and acids demonstrated high selectivity and low cytotoxicity, as well as good metabolic stability. And more importantly, the esters possessed excellent pharmacokinetic profiles for oral administration. The best compound ester 19b demonstrated long DPP-4 inhibition in vivo, and robustly improved the glucose tolerance in normal and db/db mice while ensuring glucose-lowering potency in chronic treatment. Our results supported that the compound 19b can be served as a potential candidate for the treatment of type 2 diabetes. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Recommanded Product: 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.Recommanded Product: Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Synthesis, labeling and biological evolution of new thiopyrano[2,3-b]pyridine derivatives as potential anticancer agents》 was written by Sofan, Mamdouh Abdel-Monem; Hamama, Wafaa Salama; El-Hawary, Ibrahim Ibrahim; Ibrahim, Ismail Taha; Zoorob, Hanafi Hassan. Product Details of 539-74-2This research focused onthiopyranopyridine preparation anticancer. The article conveys some information:

The new thiopyrano[2,3-b]pyridines could be synthesized from the nicotinonitrile derivative The cytotoxicity activity of the selected compounds I, II and III was tested against MCF-7 and HCT-116 cell lines. The compound I (TP5) exhibited significant inhibitory activity and displayed the most potent activity, more than II and III. The compound I with potent inhibitory activity in tumor growth inhibition would be a potential anticancer agent. In the light of this result, the labeled 125I-compound I (125I-TP5) was prepared and its cytotoxicity against ascites tumor in mice has been evaluated. The results show that compound I (TP5) may be potentially used as a radiopharmaceutical for tumor diagnosis when labeled with 125I. In addition to this study using Ethyl 3-bromopropanoate, there are many other studies that have used Ethyl 3-bromopropanoate(cas: 539-74-2Product Details of 539-74-2) was used in this study.

Ethyl 3-bromopropanoate(cas: 539-74-2) 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. Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis. Product Details of 539-74-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary