Category: 20776-50-5

Badir, Shorouk O.; Sim, Jaehoon; Billings, Katelyn; Csakai, Adam; Zhang, Xuange; Dong, Weizhe; Molander, Gary A. published the artcile< Multi-functional Building Blocks Compatible with Photo-redox-Mediated Alkylation for DNA-Encoded Library Synthesis>, Quality Control of 20776-50-5, the main research area is amino acid DNA synthesis coupling alkylation silylamine aminomethylation; alkyl bromide cross coupling alkylation silylamine DNA synthesis; photochem redox alkylation DNA encoded library synthesis.

DNA-encoded library (DEL) technol. has emerged as a novel interrogation modality for ligand discovery in the pharmaceutical industry. Given the increasing demand for a higher proportion of C(sp3)-hybridized centers in DEL platforms, a photoredox-mediated cross-coupling and defluorinative alkylation process is introduced using com. available alkyl bromides and structurally diverse α-silylamines. Notably, no protecting group strategies for amines are necessary for the incorporation of a variety of amino-acid-based organo-silanes, providing crucial branching points for further derivatization.

Organic Letters published new progress about Alkylation. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Quality Control of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Jingbo; Shi, Yabing; Chen, Shuting; Li, Fengyun; Wen, Wen; Wang, Yuanhong published the artcile< Discovery of evodiamine derivatives as potent insecticide candidates>, SDS of cas: 20776-50-5, the main research area is evodiamine derivative Mythimna Plutella Helicoverpa larvicide; Evodiamine; Insecticidal activity; Mode of action; Structure activity relationships.

In the search for novel more effective insecticides, natural products could be used as ideal template compounds due to their good environmental compatibility, various bioactivities, unique scaffolds and mode of action. We have found that natural product evodiamine, the main active component from the fruits of Evodia rutaecarpa (Juss.) Benth, displayed obvious insecticidal activities against lepidoptera pests. To continue our research, a series of evodiamine derivatives 3a-3aa were rationally designed and synthesized. The larvicidal activities results indicated that most of target compounds displayed better efficacy than evodiamine, matrine, and rotenone against Mythimna separata, Plutella xylostella and Helicoverpa armigera, among which 3z exhibited excellent larvicidal activities (65% at 2.5 mg/L against M. separata, 75% at 1.0 mg/L against P. xylostella, and 85% 10 mg/L against H. armigera, resp.), much better than evodiamine (0%), matrine (0%), and rotenone (0%). The preliminary structure activity relationships demonstrated that the fluorine atom at the E ring of evodiamine had a pos. influence on the larvicidal activity. The calcium imaging experiment studies indicated that 3z could act on the ryanodine receptor (RyR) of M. separata and was an effective calcium activator for RyR.

Bioorganic & Medicinal Chemistry published new progress about Endoplasmic reticulum. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, SDS of cas: 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

China, Hideyasu; Kageyama, Nami; Yatabe, Hotaka; Takenaga, Naoko; Dohi, Toshifumi published the artcile< Practical synthesis of 2-iodosobenzoic acid (IBA) without contamination by hazardous 2-iodoxybenzoic acid (IBX) under mild conditions>, COA of Formula: C7H6BrNO2, the main research area is cyclic organoiodine compound iodosobenzoic acid preparation solvolytic functionalization; Oxone®; cyclic organoiodine(III) compounds; water, solvolytic functionalization, mild condition, metal-free, 2-iodosobenzoic acid.

A convenient and practical method for the preparation of nonexplosive cyclic hypervalent iodine(III) oxidants as efficient organocatalysts and reagents for various reactions using oxone in aqueous solution under mild conditions at room temperature is reported. The thus obtained 2-iodosobenzoic acids (IBAs) could be used as precursors of other cyclic organoiodine(III) derivatives by the solvolytic derivatization of the hydroxy group under mild conditions of 80° or lower temperature These sequential procedures are highly reliable to selectively afford cyclic hypervalent iodine compounds in excellent yields without contamination by hazardous pentavalent iodine(III) compound

Molecules published new progress about Acetylation. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, COA of Formula: C7H6BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Caspers, Lucien D.; Spils, Julian; Damrath, Mattis; Lork, Enno; Nachtsheim, Boris J. published the artcile< One-Pot Synthesis and Conformational Analysis of Six-Membered Cyclic Iodonium Salts>, Product Details of C7H6BrNO2, the main research area is iodobenzyl alc Friedel Crafts oxidation cyclization one pot conformation; diaryliodonium salt preparation.

Two one-pot procedures for the construction of carbon-bridged diaryliodonium triflates and tetrafluoroborates, e.g., I, are described. Strong Bronsted acids enable the effective Friedel-Crafts alkylation with diversely substituted o-iodobenzyl alc. derivatives, providing diphenylmethane scaffolds, which are subsequently oxidized and cyclized to the corresponding dibenzo[b,e]iodininium salts. Based on NMR investigations and d. functional theory (DFT) calculations, we could verify the so-far-undescribed existence of two stable isomers in cyclic iodonium salts substituted with aliphatic side chains in the carbon bridge.

Journal of Organic Chemistry published new progress about Aralkyl alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (o-iodo). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Product Details of C7H6BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Auti, Prashant S.; Nandi, Arijit; Kumari, Vijeta; Paul, Atish T. published the artcile< Design, synthesis, biological evaluation and molecular modelling studies of oxoacetamide warhead containing indole-quinazolinone based novel hybrid analogues as potential pancreatic lipase inhibitors>, Category: bromides-buliding-blocks, the main research area is obesity indole quinazolinone mol modeling pancreatic lipase inhibitor antiobesity.

A novel series of indolyl oxoacetamide-quinazolinone hybrid analogs (9aa-9df) were designed, synthesized, and evaluated for their in vitro pancreatic lipase (PL) inhibitory potential which may lead to efficient anti-obesity agents. All the synthesized hybrid analogs exhibited moderate to potent PL inhibitory activity (IC50 = 32.51 to 4.86 μM). Among all the analogs, 9ak, 9af, 9aj, and 9ah were found to have the most potent PL inhibitory activity (IC50 = 4.86, 5.73, 5.83, and 5.94 μM resp.), as compared to orlistat (IC50 = 0.86 μM). The most potent analogs 9af and 9ak were found to inhibit PL competitively with an inhibition constant (Ki) of 2.136, 1.648 μM. Furthermore, the docking study confirmed the binding of analogs 9ak and 9af (MolDock score of -161.25, -133.67 kcal mol-1) that exhibited docking interactions with important active site amino acids, namely Phe 77, Tyr 114, Ser 152, Arg 256, His 263, etc. Also, the anal. of analog 9ak and 9af in SeeSAR revealed the covalent inhibition of PL. In mol. dynamics simulations of 100 ns, the complex between each analog (9ak & 9af) and PL was found to be stable (RMSD < 1.5 Å). The present work highlights the importance of a hybrid drug design approach for the development of indole and quinazolinone containing hybrids as potential PL inhibitors. New Journal of Chemistry published new progress about Antiobesity agents. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rong, Nianxin; Yuan, Yongsheng; Chen, Huijie; Yao, Changguang; Li, Teng; Wang, Yantao; Yang, Weiran published the artcile< A practical route to 2-iodoanilines via the transition-metal-free and base-free decarboxylative iodination of anthranilic acids under oxygen>, Related Products of 20776-50-5, the main research area is iodoaniline regioselective preparation; anthranilic acid oxygen decarboxylative iodination.

A simple and practical procedure for synthesizing 2-iodoanilines ArNH2 [Ar = 2-IC6H4, 2-I-4-BrC6H3, 2-I-4-MeOC6H3, etc.] had been developed. A series of highly regioselective 2-iodoanilines ArNH2 was obtained in satisfactory to good yields (of up to 90%) by carrying out the decarboxylative iodination of readily available anthranilic acids with inexpensive KI and I2 as halogen donors under transition-metal-free and base-free conditions. Oxygen was shown to be necessary for the transformation. This practical decarboxylative iodination route was operationally scalable and shown to exhibit high functional-group tolerance. Control experiments suggested that a radical pathway was involved in the transformation.

Organic Chemistry Frontiers published new progress about Aromatic amines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 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

Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu published the artcile< Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles>, SDS of cas: 20776-50-5, the main research area is tricyclic nitrogen heterocycle preparation; ynamide oxetane preparation carboxylation gold catalyst.

Here, an unprecedented gold-catalyzed 1,1-carboalkoxylation of ynamides I (R1 = H, 4-Br, 5-Cl, 4-OMe, etc.; R2 = Ph, Me, 2-thienyl, etc.; R3 = Ts, Ms, benzenesulfonyl, etc.) for the generation of exocyclic gold carbenes via exo-cyclization under room temp was reported. Subsequent 1,2-N-migration and 1,2-H-migration into the gold carbenes lead to the divergent and atom-economical synthesis of valuable tetrahydrofuran-fused 1,4-dihydroquinolines II (R1 = H, 8-Br, 7-Cl, 8-OMe, etc.) and furoindolines III (R4 = H, 5-Br, 6-F, 5-OMe, etc.; R5 = Me, Et, n-Pr, etc.). Moreover, the asym. synthesis of these tricyclic N-heterocycles e.g., IV can be achieved by a chirality-transfer strategy, and the possibility of enantioselective cyclization via chiral gold-catalyzed kinetic resolution also emerges. In addition, the mechanistic rationale for this 1,1-carboalkoxylation, in particular accounting for the distinct migration into gold carbenes, is also strongly supported by theor. calculations

ACS Catalysis published new progress about Alkoxycarbonylation. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, SDS of cas: 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dietrich, Justin D.; Longenecker, Kenton L.; Wilson, Noel S.; Goess, Christian; Panchal, Sanjay C.; Swann, Steven L.; Petros, Andrew M.; Hobson, Adrian D.; Ihle, David; Song, Danying; Richardson, Paul; Comess, Kenneth M.; Cox, Philip B.; Dombrowski, Amanda; Sarris, Kathy; Donnelly-Roberts, Diana L.; Duignan, David B.; Gomtsyan, Arthur; Jung, Paul; Krueger, A. Chris; Mathieu, Suzanne; McClure, Andrea; Stoll, Vincent S.; Wetter, Jill; Mankovich, John A.; Hajduk, Philip J.; Vasudevan, Anil; Stoffel, Robert H.; Sun, Chaohong published the artcile< Development of Orally Efficacious Allosteric Inhibitors of TNFα via Fragment-Based Drug Design>, Recommanded Product: 2-Amino-4-bromobenzoic acid, the main research area is antiinflammation TNF alpha FBDD allosteric desymmetrization drug like isoquinoline.

Tumor necrosis factor α (TNFα) is a soluble cytokine that is directly involved in systemic inflammation through the regulation of the intracellular NF-κB and MAPK signaling pathways. The development of biol. drugs that inhibit TNFα has led to improved clin. outcomes for patients with rheumatoid arthritis and other chronic autoimmune diseases; however, TNFα has proven to be difficult to drug with small mols. Herein, we present a two-phase, fragment-based drug discovery (FBDD) effort in which we first identified isoquinoline fragments that disrupt TNFα ligand-receptor binding through an allosteric desymmetrization mechanism as observed in high-resolution crystal structures. The second phase of discovery focused on the de novo design and optimization of fragments with improved binding efficiency and drug-like properties. The 3-indolinone-based lead compound 12 (I) presented here displays oral, in vivo efficacy in a mouse glucose-6-phosphate isomerase (GPI)-induced paw swelling model comparable to that seen with a TNFα antibody.

Journal of Medicinal Chemistry published new progress about Allosteric modulators. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Recommanded Product: 2-Amino-4-bromobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shah, Shalini; Goyal, Anju published the artcile< Synthesis and antimicrobial activity of some n'-(substituted benzylidene)-2-(7-bromo-phenylquinazolin-4-yloxy) acetohydrazide derivatives>, Related Products of 20776-50-5, the main research area is benzylidene bromophenylquinazolinyloxy acetohydrazide preparation antibacterial antifungal activity.

The title compounds were prepared by the reaction of bromoanthranilic acid with benzoyl chloride which gave 7-bromo-2-phenyl-4H-benzo(1,3)oxazin-4-one, further on reaction with formamide gave 7-bromo-2-phenylquinazolin-4(3H)-one. The esterification product of 7-bromo-2-phenylquinazolin-4(3H)-one reacted with hydrazine-hydrate gave (7-bromo-2-phenylquinazolin-4yloxy)acetohydrazide. The sub stituted benzaldehyde RCHO on reaction with (7-bromo-2-phenylquinazolin-4-yloxy)acetohydrazide yielded N’-(sub stituted benzylidene)-2-(7-bromo-2-phenylquinazolin-4-yloxy) acetohydrazide I (R = Cl, OH, NO2; R1 = MeO, NO2, Cl; R2 = Cl, MeO, F, OH, NO2; R3 = MeO). All synthesized derivative compounds I were evaluated for their in vitro antimicrobial activities using the disk diffusion technique. All the synthesized compounds exhibit antimicrobial activity and the compounds I (R = NO2; R1 = NO2; R2 = F, NO2) have a broad spectrum of activity at 50μg/mL.

International Journal of Pharmaceutical Sciences and Research published new progress about Aryl aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Nonami, Reina; Morimoto, Yusei; Kanemoto, Kazuya; Yamamoto, Yasunori; Shirai, Tomohiko published the artcile< Cationic Iridium-Catalyzed Asymmetric Decarbonylative Aryl Addition of Aromatic Aldehydes to Bicyclic Alkenes>, Product Details of C7H6BrNO2, the main research area is formylphenyl acetamide norbornene iridium catalyst enantioselective decarbonylation; norbornanyl phenyl acetamide preparation; C−H bond activation; asymmetric catalysis; cationic iridium; decarbonylation; decarbonylative arylation.

An unprecedented catalytic protocol for the enantioselective decarbonylative transformation of aryl aldehydes. In this process, the decarbonylation of aldehydes catalyzed by chiral iridium complexes enabled the formation of asym. C-C bonds through the formation of an aryl-iridium intermediate. The decarbonylative aryl addition to bicyclic alkenes were fluidly performed without a stoichiometric aryl-metal reagent, such as aryl boronic acid, with a cationic iridium complex generated in-situ from Ir(cod)2(BArF4) and the sulfur-linked bis(phosphoramidite) ligand ((R,R)-S-Me-BIPAM). This reaction has broad functional group compatibility and no waste was generated, except carbon monoxide.

Chemistry – A European Journal published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Product Details of C7H6BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary