Month: October 2022

Suchaud, Virginie; Bailly, Fabrice; Lion, Cedric; Calmels, Christina; Andreola, Marie-Line; Christ, Frauke; Debyser, Zeger; Cotelle, Philippe published the artcile< Investigation of a Novel Series of 2-Hydroxyisoquinoline-1,3(2H,4H)-diones as Human Immunodeficiency Virus Type 1 Integrase Inhibitors>, Application In Synthesis of 16426-64-5, the main research area is hydroxyisoquinolinedione preparation inhibition HIV1 integrase; structure hydroxyisoquinolinedione inhibition HIV1 integrase RNase H toxicity; mol docking hydroxyisoquinolinedione HIV1 integrase; physicochem property toxicity inhibition hERG CYP isoform hydroxyisoquinolinedione.

Hydroxyisoquinolinediones such as I (R = MeO, O2N, H2N, F, Cl, Br, F3C, NC, AcNH, PhCONH, 2-pyridinecarbonylamino, PhCH2CONH, 2-thiophenecarbonylamino; R1 = 4-FC6H4CH2, BuCH2CH2, Ph, PhCH2, 4-FC6H4, 4-FC6H4CH2CH2, 4-MeOC6H4CH2) (or their enol forms) were prepared as inhibitors of HIV-1 integrase; their inhibition of HIV-1 integrase, their anti-HIV-1 activities in human cells, their toxicities to human cells, and their inhibitions of RNase H were determined Introduction of electron-withdrawing functional groups such as a nitro moiety at position 7 of the isoquinoline ring led to a noticeable improvement in the antiviral activity of the resultant hydroxyisoquinolinediones with improved therapeutic indexes approaching those of the clin. used raltegravir while retaining potency against a panel of HIV-1 integrase mutants. The solubility, biol. permeability, transport by P-glycoprotein, inhibition of hERG and CYP isoforms, and specific cell toxicity effects of I (R = O2N; R1 = 4-FC6H4CH2) were determined

Journal of Medicinal Chemistry published new progress about Anti-HIV agents. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Application In Synthesis of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Umakoshi, Yuki; Takemoto, Yusuke; Tsubouchi, Akira; Zhdankin, Viktor V.; Yoshimura, Akira; Saito, Akio published the artcile< Dehydrogenative Cycloisomerization/Arylation Sequence of N-Propargyl Carboxamides with Arenes by Iodine(III)-Catalysis>, Quality Control of 576-83-0, the main research area is oxazole preparation; amide arene dehydrogenative cycloisomerization arylation hypervalent iodine catalyst.

Dehydrogenative cycloisomerization/arylation sequence of heteroatom nucleophile-tethered unactivated alkynes provides a facile and powerful approach to C-C bond formation between the generated heterocycles and unfunctionalized arenes. Here, authors describe a hypervalent iodine(III)-catalyzed synthesis of oxazoles concomitant with the introduction of aryl groups into side chain from N-propargyl carboxamides and arenes, representing first C(sp3)-C(sp2) bond formation by the catalytic dehydrogenative cycloisomerization/arylation reaction in exo-dig modes.

Advanced Synthesis & Catalysis published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent) (N-propargyl carboxamides). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Quality Control of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chiang, Pei-Chen; Kaeobamrung, Juthanat; Bode, Jeffrey W. published the artcile< Enantioselective, Cyclopentene-Forming Annulations via NHC-Catalyzed Benzoin-Oxy-Cope Reactions>, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde, the main research area is unsaturated aldehyde oxobutenoate chiral triazolium enantioselective benzoin oxy Cope; trisubstituted cyclopentene derivative stereoselective preparation; enantioselective benzoin catalyst chiral nitrogen heterocyclic carbene triazolium; oxy Cope enantioselective catalyst chiral nitrogen heterocyclic carbene triazolium.

Chiral N-heterocyclic carbene catalysts generated from triazolium salts promote the cyclopentene-forming annulation of α,β-unsaturated aldehydes and aryl-4-oxobutenoates with excellent levels of enantioinduction and preference for the cis-1,3,4-trisubstituted cyclopentene diastereomers, e.g., I. Although the observed products could arise by conjugate additions of catalytically generated homoenolates, our mechanistic and stereochem. investigations strongly support a novel reaction manifold featuring an intermol. crossed-benzoin reaction and an NHC-catalyzed oxy-Cope rearrangement.

Journal of the American Chemical Society published new progress about Aldol addition, stereoselective (intramol.). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Frogley, Benjamin J.; Hill, Anthony F.; Shang, Rong; Sharma, Manab; Willis, Anthony C. published the artcile< In Search of Fulminate Analogues: LnMCP:NR>, SDS of cas: 576-83-0, the main research area is carbyne iminophosphino molybdenum tungsten complex fulminate analog preparation; nucleophilic addition iminophosphino carbyne molybdenum tungsten complex; alkylidyne; binuclear; carbyne; fulminate; iminophosphane.

Nucleophilic addition reactions of molybdenum and tungsten iminophosphino-substituted carbyne complexes are explored. The “”CPNR”” ligand may be viewed as being isolobal with fulminate, CNO; however, attempts to prepare a complex of such a ligand resulted instead in a range of novel imino and aminophosphinocarbyne complexes. Metalation-phosphination of carbyne [MoCBr(CO)2(Tp*)] [Tp* = hydrotris(dimethylpyrazolyl)borate] with BuLi and ClP:NMes* (Mes* = 2,4,6-tBi3C6H2) afforded mixtures of the complexes [MoCPBuNHMes*(CO)2(Tp*)] and traces of the bimetallic products [Mo2[μ-C2P2O(NHMes)2](CO)4(Tp*)2] and [Mo2(μ-C2PNHMes)(CO)4(Tp*)2]. The reaction of [WCBr(CO)2(Tp*)] with BuLi and ClP:NMes* afforded predominantly the mononuclear carbyne [W[CP(:NMes*)Bu2](CO)2(Tp*)] and traces of the binuclear complex [W2(μ-C2PNHMes)(CO)4(Tp*)2] which is also obtained when tBuLi is used. Although not isolable, the intended complexes [MCPNMes*(CO)2(Tp*)] could be generated in situ and spectroscopically characterized via the reactions of the stannyl carbynes [MCSnBu3(CO)2(Tp*)] and ClP:NMes*. The preceding observations are mechanistically interpreted with reference to a computational interrogation of the model complex [MoCP:NMe(CO)2(Tp*)], the LUMO of which has considerable phosphorus character.

Chemistry – A European Journal published new progress about Carbyne complexes Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, SDS of cas: 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Yingpeng; Ho, Thanh C.; Baradwan, Mohammed; Lopez-Alberca, Maria Pascual; Iliopoulos-Tsoutsouvas, Christos; Nikas, Spyros P.; Makriyannis, Alexandros published the artcile< Synthesis of functionalized cannabilactones>, Recommanded Product: Methyl 2-bromo-4-methoxybenzoate, the main research area is cannabilactone Suzuki cross coupling reaction; CB2 selective ligands; Suzuki cross-coupling; cannabilactones; cannabinoids.

A new approach to synthesize cannabilactones using Suzuki cross-coupling reaction followed by one-step demethylation-cyclization is presented. The two key cannabilactone prototypes AM1710 and AM1714 were obtained selectively in high overall yields and in a lesser number of synthetic steps when compared to our earlier synthesis. The new approach expedited the synthesis of cannabilactone analogs with structural modifications at the four potential pharmacophoric regions.

Molecules published new progress about Cyclization. 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, Recommanded Product: Methyl 2-bromo-4-methoxybenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mu, Binsong; Zhang, Le; Lv, Guanghui; Chen, Kang; Wang, Ting; Chen, Jian; Huang, Tianle; Guo, Li; Yang, Zhongzhen; Wu, Yong published the artcile< Access to Phosphine-Containing Quinazolinones Enabled by Photo-Induced Radical Phosphorylation/Cyclization of Unactivated Alkenes>, Formula: C7H6BrNO2, the main research area is iridium catalyzed phosphorylation photocyclization unactivated alkene phosphine oxide phosphite; quinazolinone phosphine containing preparation.

A mild and facile photo-induced cascade radical addition/cyclization of unactivated alkenes is reported, through which a variety of biol. valuable phosphine-containing quinazolinones could be obtained in moderate to good yields. The protocol was characterized by mild conditions, broad substrate scope, and high at. economy.

Journal of Organic Chemistry published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent) (unactivated). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Formula: C7H6BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Khalifa, Muhammad M.; Philkhana, Satish Chandra; Golden, Jennifer E. published the artcile< Synthesis of Ring-Fused, N-Substituted 4-Quinolinones Using pKa-Guided, Base-Promoted Annulations with Isatoic Anhydrides: Total Synthesis of Penicinotam>, Related Products of 20776-50-5, the main research area is isatoic anhydride ketone base promoted anionic annulation; quinolinone preparation; penicinotam total synthesis.

An anionic annulation strategy employing isatoic anhydrides and a wide assortment of enolizable partners was developed to afford over 80 novel ring-fused, N-substituted 4-quinolinones, an underrepresented privileged template. Multiple factors governing the efficiency of the transformation were determined, resulting in a reliable and tunable synthetic platform applicable for a broad range of substrates with variable deprotonation susceptibility, such as tetramic and tetronic acids, cyclic 1,3-diketones, and cycloalkanones. Application to the synthesis of bioactive, pyrrolizine-fused 4-quinolinone, penicinotam I, resulted in the most brief and highest yielding total synthesis of the alkaloid in three steps and a 36% overall yield.

Journal of Organic Chemistry published new progress about Cyclization. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Related Products of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Getter, Tamar; Margalit, Raanan; Kahremany, Shirin; Levy, Laura; Blum, Eliav; Khazanov, Netaly; Keshet-Levy, Nimrod Y.; Tamir, Tigist Y.; Ben Major, M.; Lahav, Ron; Zilber, Sofia; Senderowitz, Hanoch; Bradfield, Paul; Imhof, Beat A.; Alpert, Evgenia; Gruzman, Arie published the artcile< Novel inhibitors of leukocyte transendothelial migration>, Safety of Methyl 4-(bromomethyl)-2-fluorobenzoate, the main research area is benzylidene trioxotetrahydropyrimidine preparation leukocyte transendothelial migration inhibitor docking human; Arthritis; Fatty liver; IBD/Crohn’s disease; Leukocyte transmigration; Multiple sclerosis; Trioxotetrahydropyrimidin derivatives.

In this study, based on previous trioxotetrahydropyrimidine based integrin inhibitors that suboptimally blocked leukocyte adhesion, twelve mols. with a modified scaffold were designed, synthesized, and tested in vitro for their capacity to block the transendothelial migration of immune cells. One of the mols. I, completely blocked leukocyte transendothelial migration, without any toxic effects on immune or endothelial cells (IC50 = 2.4 μM). In vivo, compound I exhibited significant therapeutic effects in inflammatory bowel disease (IBD)/Crohn’s disease, multiple sclerosis, fatty liver disease, and rheumatoid arthritis models. A detailed acute and chronic toxicity profile of the lead compound in vivo did not reveal any toxic effects. Such a type of mol. might therefore provide a unique starting point for designing a novel class of leukocyte transmigration blocking agents with broad therapeutic applications in inflammatory and auto-immune pathologies.

Bioorganic Chemistry published new progress about Anti-inflammatory agents. 85070-57-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, Safety of Methyl 4-(bromomethyl)-2-fluorobenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ressmann, Anna K.; Schwendenwein, Daniel; Leonhartsberger, Simon; Mihovilovic, Marko D.; Bornscheuer, Uwe T.; Winkler, Margit; Rudroff, Florian published the artcile< Substrate-Independent High-Throughput Assay for the Quantification of Aldehydes>, Product Details of C9H7BrO, the main research area is aldehyde quantification high throughput assay aminobenzamidoxime derivative.

The selective and direct reduction of carboxylic acids into the corresponding aldehydes by chem. methods is still a challenging task in synthesis. Several reductive and oxidative chem. methods are known to produce aldehydes, but most of them require expensive reagents, special reaction conditions, are 2-step procedures and often lack chemoselectivity. Nature provides an elegant tool, so called carboxylic acid reductases (CARs) for the direct reduction of carboxylic acids to aldehydes. Discovery as well as engineering of novel CAR enzymes necessitates a robust, product selective high-throughput assay (HTA). The authors report a simple and fast HTA that allows the substrate-independent and chemoselective quantification of aldehydes (irresp. of their chem. structure) and is sensitive to the nM range. The HTA was validated by NMR and GC analyses and in microbial cells by reexamination of the substrate scope of CAR from Nocardia iowensis (CARNi). The results were fully consistent with reported data.

Advanced Synthesis & Catalysis published new progress about Aldehydes Role: ANT (Analyte), RCT (Reactant), SPN (Synthetic Preparation), ANST (Analytical Study), RACT (Reactant or Reagent), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Product Details of C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Su, Shun; Clarke, Adam; Han, Ying; Chao, Hannguang J.; Bostwick, Jeffrey; Schumacher, William; Wang, Tao; Yan, Mujing; Hsu, Mei-Yin; Simmons, Eric; Luk, Chiuwa; Xu, Carrie; Dabros, Marta; Galella, Michael; Onorato, Joelle; Gordon, David; Wexler, Ruth; Gargalovic, Peter S.; Lawrence, R. Michael published the artcile< Biphenyl acid derivatives as APJ receptor agonists>, Name: Methyl 2-bromo-4-methoxybenzoate, the main research area is heart failure cardioprotective APJ apelin receptor agonist biphenyl acid.

The APJ receptor and its endogenous peptidic ligand apelin have been implicated as important modulators of cardiovascular function, and APJ receptor agonists may be beneficial in the treatment of heart failure. In this article, we describe the discovery of a series of biphenyl acid derivatives as potent APJ receptor agonists. Following the identification of initial high-throughput screen lead 2(I), successive optimization led to the discovery of lead compound 15a(II). II demonstrated comparable in vitro potency to apelin-13, the endogenous peptidic ligand for the APJ receptor. In vivo, II demonstrated a dose-dependent improvement in the cardiac output in male Sprague Dawley rats with no significant changes in either mean arterial blood pressure or heart rate, consistent with the hemodynamic profile of apelin-13 in an acute pressure volume loop model.

Journal of Medicinal Chemistry published new progress about Apelin receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (agonists). 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, Name: Methyl 2-bromo-4-methoxybenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary