Tag: 200-300

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,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 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 2016,Samanta, Soumen K.; Moncelet, Damien; Briken, Volker; Isaacs, Lyle published 《Metal-Organic Polyhedron Capped with Cucurbit[8]uril Delivers Doxorubicin to Cancer Cells》.Journal of the American Chemical Society published the findings.Recommanded Product: 626-40-4 The information in the text is summarized as follows:

Self-assembly of ligand 1 and Pd(NO3)2 delivers Fujita-type metal-organic polyhedron (MOP) 3 which bears 24 covalently attached Me viologen units on its external surface, as evidenced by 1H NMR, diffusion-ordered spectroscopy NMR, electrospray mass spectrometry, transmission electron microscopy, and at. force microscopy measurements. MOP 3 undergoes noncovalent complexation with cucurbit[n]urils to yield MOPs 4-6 with diameter ≈5-6 nm. MOP 5 can be fully loaded with doxorubicin (DOX) prodrug 2 via hetero-ternary complex formation to yield 7. The MOPs exhibit excellent stability toward neutral to slightly acidic pH in 10 mM sodium phosphate buffer, mitigating the concern of disassembly during circulation. The results of MTS assays show that MOP 7 is 10-fold more cytotoxic toward HeLa cells than equimolar quantities of DOX prodrug 2. The enhanced cytotoxicity can be traced to a combination of enhanced cellular uptake of 7 and DOX release as demonstrated by flow cytometry and confocal fluorescence microscopy. The confluence of properties imparted by the polycationic MOP architecture and plug-and-play CB[n] complexation provides a potent new platform for drug delivery application. The results came from multiple reactions, including the reaction of 3,5-Dibromoaniline(cas: 626-40-4Recommanded Product: 626-40-4)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Recommanded Product: 626-40-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2013,Bhadra, Sukalyan; Dzik, Wojciech I.; Goossen, Lukas J. published 《Synthesis of Aryl Ethers from Benzoates through Carboxylate-Directed C-H-Activating Alkoxylation with Concomitant Protodecarboxylation》.Angewandte Chemie, International Edition published the findings.Recommanded Product: 76006-33-2 The information in the text is summarized as follows:

A mixture of Ag2CO3 and Cu(OAc)2 catalyzed the ortho-alkoxylation and concomitant protodecarboxylation of potassium benzoates with trialkyl borates. Neither double alkoxylation nor nondecarboxylative alkoxylation was observed, confirming the high efficiency of the decarboxylation step following alkoxylation. The synthesis of the borate ester reagent can be combined with the decarboxylative alkoxylation in a one-pot procedure. The alc. is first treated with an equivalent amount of pinacol borane, and when gas evolution ceases, the carboxylate salt and catalyst are added and the decarboxylative coupling is performed. The experimental process involved the reaction of 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Recommanded Product: 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. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. Recommanded Product: 76006-33-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2010,Chandrakantha, B.; Shetty, Prakash; Nambiyar, Vijesh; Isloor, Nishitha; Isloor, Arun M. published 《Synthesis, characterization and biological activity of some new 1,3,4-oxadiazole bearing 2-fluoro-4-methoxy phenyl moiety》.European Journal of Medicinal Chemistry published the findings.Name: 3-Bromo-2-methylbenzoic acid The information in the text is summarized as follows:

A series of 1,3,4-oxadiazole derivatives containing 2-fluoro-4-methoxy moiety was synthesized and characterized. The title compounds were screened for their antibacterial and antifungal studies. Antimicrobial studies revealed that compounds Compound I (Ar = 3-Br-2-Me-Ph, 2,3,4-F3-Ph) showed significant antibacterial activity against Escherichia coli and Pseudomonas aeruginosa. Compound I (Ar = 2-Br-5-Cl-Ph) showed significant antifungal activity against C. albicans. In the experimental materials used by the author, we found 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Name: 3-Bromo-2-methylbenzoic acid)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: 3-Bromo-2-methylbenzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2009,Kasuga, Jun-ichi; Ishida, Seiichi; Yamasaki, Daisuke; Makishima, Makoto; Doi, Takefumi; Hashimoto, Yuichi; Miyachi, Hiroyuki published 《Novel biphenylcarboxylic acid peroxisome proliferator-activated receptor (PPAR) δ selective antagonists》.Bioorganic & Medicinal Chemistry Letters published the findings.Reference of 3-Bromo-2-methylbenzoic acid The information in the text is summarized as follows:

Novel PPARδ antagonists were designed and synthesized based on the crystal structure of the PPARδ full agonist TIPP-204 bound to the PPARδ ligand-binding domain, in combination with the nuclear receptor helix 12 folding modification hypothesis. Representative compound I exhibits PPARδ-preferential antagonistic activity. In the experiment, the researchers used many compounds, for example, 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Reference of 3-Bromo-2-methylbenzoic acid)

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. Reference of 3-Bromo-2-methylbenzoic acid Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Flow carbonylation of sterically hindered ortho-substituted iodoarenes》 were Mallia, Carl J.; Walter, Gary C.; Baxendale, Ian R.. And the article was published in Beilstein Journal of Organic Chemistry in 2016. Related Products of 1289007-84-6 The author mentioned the following in the article:

The flow synthesis of ortho-substituted carboxylic acids, using carbon monoxide gas, has been studied for a number of substrates. The optimized conditions make use of a simple catalyst system compromising of triphenylphosphine as the ligand and palladium acetate as the pre-catalyst. Carbon monoxide was introduced via a reverse “”tube-in-tube”” flow reactor at elevated pressures to give yields of carboxylated products that are much higher than those obtained under normal batch conditions. In the part of experimental materials, we found many familiar compounds, such as 2-Bromo-5-formylbenzoic acid(cas: 1289007-84-6Related Products of 1289007-84-6)

2-Bromo-5-formylbenzoic acid(cas: 1289007-84-6) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals.Related Products of 1289007-84-6 Organobromine compounds have fallen under increased scrutiny for their environmental impact.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Formula: C6H4BBrF3KOn September 7, 2011 ,《Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals》 was published in Journal of the American Chemical Society. The article was written by Vo, Cam-Van T.; Mitchell, T. Andrew; Bode, Jeffrey W.. The article contains the following contents:

Mixed acetals and organotrifluoroborates undergo BF3·OEt2-promoted cross-couplings to give dialkyl ethers under simple, mild conditions. A survey of reaction partners identified a hydroxamate leaving group that improves the regioselectivity and product yield in the BF3·OEt2-promoted coupling reaction of mixed acetals and potassium alkynyl-, alkenyl-, aryl- and heteroaryltrifluoroborates to access substituted dialkyl ethers. This leaving group enables the reaction to proceed rapidly under mild conditions (0 °C, 5-60 min) and permits reactions with electron-deficient potassium aryltrifluoroborates that are less reactive with other acetal substrates. A study of the reaction mechanism and characterization of key intermediates by NMR spectroscopy and X-ray crystallog. identified a role for the hydroxamate moiety as a reversible leaving group that serves to stabilize the key oxocarbenium intermediate and the need for a slight excess of organodifluoroborane to serve as a catalyst. A secondary role for the boron nucleophile as an activating ligand was also considered. These studies provide the basis for a general class of reagents that lead to dialkyl ethers by a simple, predictable cross-coupling reaction. In the experiment, the researchers used potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8Formula: C6H4BBrF3K)

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. Formula: C6H4BBrF3K Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors》 was written by Connelly, Stephen; Mortenson, David E.; Choi, Sungwook; Wilson, Ian A.; Powers, Evan T.; Kelly, Jeffery W.; Johnson, Steven M.. Recommanded Product: 626-40-4This research focused ontransthyretin amyloidogenesis inhibitor algorithm modeling amyloid polyneuropathy; Amyloid; Familial amyloid polyneuropathy; In silico docking; Inhibitor; Prediction algorithms; Senile systemic amyloidosis; Structural biology; Structure-based drug design; TTR; Thyroid hormone receptors; Transthyretin. The article conveys some information:

Rate-limiting dissociation of the tetrameric protein transthyretin (TTR), followed by monomer misfolding and misassembly, appears to cause degenerative diseases in humans known as the transthyretin amyloidoses, based on human genetic, biochem. and pharmacol. evidence. Small mols. that bind to the generally unoccupied thyroxine binding pockets in the native TTR tetramer kinetically stabilize the tetramer, slowing subunit dissociation proportional to the extent that the mols. stabilize the native state over the dissociative transition state-thereby inhibiting amyloidogenesis. Herein, the authors use previously reported structure-activity relationship data to develop two semi-quant. algorithms for identifying the structures of potent and selective transthyretin kinetic stabilizers/amyloidogenesis inhibitors. The viability of these prediction algorithms, in particular the more robust in silico docking model, is perhaps best validated by the clin. success of tafamidis, the first-in-class drug approved in Europe, Japan, South America, and elsewhere for treating transthyretin aggregation-associated familial amyloid polyneuropathy. Tafamidis is also being evaluated in a fully-enrolled placebo-controlled clin. trial for its efficacy against TTR cardiomyopathy. These prediction algorithms will be useful for identifying second generation TTR kinetic stabilizers, should these be needed to ameliorate the central nervous system or ophthalmol. pathol. caused by TTR aggregation in organs not accessed by oral tafamidis administration. In the part of experimental materials, we found many familiar compounds, such as 3,5-Dibromoaniline(cas: 626-40-4Recommanded Product: 626-40-4)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime.Typically the presence of an amine functional group is deduced by a combination of techniques, including mass spectrometry as well as NMR and IR spectroscopies. 1H NMR signals for amines disappear upon treatment of the sample with D2O. In their infrared spectrum primary amines exhibit two N-H bands, whereas secondary amines exhibit only one.Recommanded Product: 626-40-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary