Tag: 200-300

《Manganese(I) κ2-NN complex-catalyzed formic acid dehydrogenation》 was written by Leval, Alexander; Junge, Henrik; Beller, Matthias. Reference of Bromopentacarbonylmanganese(I) And the article was included in Catalysis Science & Technology in 2020. The article conveys some information:

Hydrogen use as a sustainable energy vector is of growing interest and is the subject of current intensive research. We report herein an upgraded follow-up system for formic acid (FA) dehydrogenation (DH) catalyzed by [Mn(BisIm)(CO)3Br] (BisIm = 4,4′,5,5′-tetrahydro-1H,1′H-2,2′-bisimidazole). The latter belongs to a family of novel catalysts we developed, which are interesting since they bear easily accessible ligands from cheap, com. available starting materials. The novel catalyst system allows for improved hydrogen generation and better catalyst turnover numbers (7883 after 12 cycles of FA dosage). In addition, a significantly lower CO content in the gas phase was also achieved (47 ppm). Extended investigation of the influence of the ligand structure on the catalytic performances confirmed that the non-bonding electron pair on the N-H moiety, on the 3rd position of each imidazoline ring, is crucial for the transformation. The experimental process involved the reaction of Bromopentacarbonylmanganese(I)(cas: 14516-54-2Reference of Bromopentacarbonylmanganese(I))

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Reference of Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections》 was published in Journal of Medicinal Chemistry in 2020. These research results belong to Gaisina, Irina N.; Peet, Norton P.; Wong, Letitia; Schafer, Adam M.; Cheng, Han; Anantpadma, Manu; Davey, Robert A.; Thatcher, Gregory R. J.; Rong, Lijun. Category: bromides-buliding-blocks The article mentions the following:

The recent Ebola epidemics in West Africa underscore the great need for effective and practical therapies for future Ebola virus outbreaks. We have discovered a new series of remarkably potent small mol. inhibitors of Ebola virus entry. These 4-(aminomethyl)benzamide-based inhibitors are also effective against Marburg virus. Synthetic routes to these compounds allowed for the preparation of a wide variety of structures, including a conformationally restrained subset of indolines (compounds 41-50). Compounds 20, 23, 32, 33, and 35 are superior inhibitors of Ebola (Mayinga) and Marburg (Angola) infectious viruses. Representative compounds (20, 32, and 35) have shown good metabolic stability in plasma and liver microsomes (rat and human), and 32 did not inhibit CYP3A4 nor CYP2C9. These 4-(aminomethyl)benzamides are suitable for further optimization as inhibitors of filovirus entry, with the potential to be developed as therapeutic agents for the treatment and control of Ebola virus infections. The results came from multiple reactions, including the reaction 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,ACS Combinatorial Science included an article by de Pedro Beato, Eduardo; Priego, Julian; Gironda-Martinez, Adrian; Gonzalez, Fernando; Benavides, Jesus; Blas, Jesus; Martin-Ortega, Maria Dolores; Toledo, Miguel Angel; Ezquerra, Jesus; Torrado, Alicia. Formula: C7H5BrO2. The article was titled 《Mild and Efficient Palladium-Mediated C-N Cross-Coupling Reaction between DNA-Conjugated Aryl Bromides and Aromatic Amines》. The information in the text is summarized as follows:

DNA-encoded library technol. (ELT) has emerged in the pharmaceutical industry as a powerful tool for hit and lead generation. Over the last 10 years, a number of DNA-compatible chem. reactions have been published and used to synthesize libraries. Among the most commonly used reactions in medicinal chem. is the C-N bond formation, and its application to DNA-encoded library technol. affords an alternative approach to identify high-affinity binders for biol. relevant protein targets. Herein we report a newly developed Pd-promoted C-N cross coupling reaction between DNA-conjugated aryl bromides and a wide scope of arylamines in good to excellent yields. The mild reaction conditions should facilitate the synthesis of novel DNA-encoded combinatorial libraries. After reading the article, we found that the author used 4-Bromobenzoic acid(cas: 586-76-5Formula: C7H5BrO2)

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.Formula: C7H5BrO2 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,European Journal of Medicinal Chemistry included an article by Gao, Feng; Wang, Tengfei; Gao, Meixiang; Zhang, Xia; Liu, Zhuqing; Zhao, Shi Jia; Lv, Zao Sheng; Xiao, Jiaqi. Related Products of 629-03-8. The article was titled 《Benzofuran-isatin-imine hybrids tethered via different length alkyl linkers: Design, synthesis and in vitro evaluation of anti-tubercular and anti-bacterial activities as well as cytotoxicity》. The information in the text is summarized as follows:

The design and synthesis of twenty-two novel benzofuran-isatin-imine hybrids I [R1 = H, F, OCH3; X = (CH2)n; Y = NOCH3, NOC2H5, NNHC(S)NH2, NOH; R3 = H, OCH3, F; n = 1, 2, 3, 4] tethered through propylene, butylene, pentylene and hexylene, and for the evaluation of their in vitro anti-tubercular and anti-bacterial activities as well as cytotoxicity were reported. All benzofuran-isatin-imine hybrids exhibited considerable in vitro anti-TB (MIC: <0.016-0.218 μg/mL and 0.062-14.15 μg/mL against drug-sensitive and MDR MTB, resp.) and anti-bacterial (MIC: 0.25-64 μg/mL and 0.06-16 μg/mL against Gram-pos. and Gram-neg. strains, resp.) activities. All of them also showed acceptable cytotoxicity towards VERO (CC50: 8-128 μg/mL). The most active hybrid I (R1 = H; X = CH2CH2; Y = NOCH3; R3 = OCH3) (MIC: <0.016, 0.062 and 0.16 μg/mL, resp.) was >4.8 and >48 folds more potent than the first line anti-TB agents RIF and INH against both drug-sensitive MTB H37Rv and MDR-TB isolates, resp. Moreover, hybrid I (R1 = H; X = CH2CH2; Y = NOCH3; R3 = OCH3) also demonstrated promising anti-bacterial activities with MIC values of ≤1 μg/mL against the majority of the tested Gram-neg. and Gram-pos. pathogens, which was comparable to vancomycin (MIC: 0.5-4 μg/mL) and CPFX (MIC: 0.125-8 μg/mL) against Gram-pos. bacteria, but slightly less potent than CPFX (MIC: ≤0.03-0.5 μg/mL) against Gram-neg. bacteria. The results indicated that benzofuran-isatin-imine hybrids could act as candidates for the development of anti-TB and anti-bacterial agents. In the experiment, the researchers used 1,6-Dibromohexane(cas: 629-03-8Related Products of 629-03-8)

1,6-Dibromohexane(cas: 629-03-8) is generally used to introduce C6 spacer in the molecular architecture. Some of the examples are: synthesis of solvent processable and conductive polyfluorene ionomers for alkaline fuel cell applications; synthesis of cross-linkable regioregular poly(3-(5-hexenyl)thiophene) (P3HNT) for stabilizing the film morphology in polymer photovoltaic cells.Related Products of 629-03-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

COA of Formula: C6H4BBrF3KOn September 15, 2006 ,《Linchpin Synthons: Metalation of Aryl Bromides Bearing a Potassium Trifluoroborate Moiety》 was published in Journal of Organic Chemistry. The article was written by Molander, Gary A.; Ellis, Noel M.. The article contains the following contents:

Aryl bromides bearing a potassium trifluoroborate moiety were subjected to lithium-halogen exchange at low temperature using a variety of alkyllithium reagents. A number of different electrophiles were evaluated in their reactions with the aryllithiums produced therein. Under carefully optimized conditions, potassium bromophenyl trifluoroborates afforded good to excellent yields of the corresponding alcs. (64-94% isolated yield) when aldehydes or ketones were used as the electrophilic partner. Esters were unfortunately found to be unreactive.potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8COA of Formula: C6H4BBrF3K) was used in this study.

potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. COA of Formula: C6H4BBrF3K The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.

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

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

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

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

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