Tag: M.W=200-250

Wisniewski, John A. published the artcileStructure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors, Formula: C6H4BrNO3, the main research area is dibenzoylpiperazine preparation beta catenin BCL9 protein interaction inhibitor antitumor; B-cell lymphoma 9; Wnt signaling; inhibitor; protein−protein interactions; selectivity; β-Catenin.

A small-mol. inhibitor with a 1,4-dibenzoylpiperazine scaffold was designed to match the critical binding elements in the β-catenin/B-cell lymphoma 9 (BCL9) protein-protein interaction interface. Inhibitor optimization led to a potent inhibitor that can disrupt the β-catenin/BCL9 interaction and exhibit 98-fold selectivity over the β-catenin/cadherin interaction. The binding mode of new inhibitors was characterized by structure-activity relationships and site-directed mutagenesis studies. Cell-based studies demonstrated that this series of inhibitors can selectively suppress canonical Wnt signaling and inhibit growth of Wnt/β-catenin-dependent cancer cells.

ACS Medicinal Chemistry Letters published new progress about Antiproliferative agents. 41668-13-7 belongs to class bromides-buliding-blocks, name is 5-Bromo-6-hydroxynicotinic acid, and the molecular formula is C6H4BrNO3, Formula: C6H4BrNO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Aicher, Thomas D. published the artcileDiscovery of LYC-55716: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor-γ (RORγ) Agonist for Use in Treating Cancer, Formula: C7H4BrF3O, the main research area is benzoxazine derivative oral RAR ROR receptor agonist preparation cancer.

Retinoic acid receptor-related orphan receptor γ (RORc, RORγ, or NR1F3) is the nuclear receptor master transcription factor that drives the function and development of IL-17-producing T helper cells (Th17), cytotoxic T cells (Tc17), and subsets of innate lymphoid cells. Activation of RORγ+ T cells in the tumor microenvironment is hypothesized to render immune infiltrates more effective at countering tumor growth. To test this hypothesis, a family of benzoxazines was optimized to provide LYC-55716 (37c), a potent, selective, and orally bioavailable small-mol. RORγ agonist. LYC-55716 decreases tumor growth and enhances survival in preclin. tumor models and was nominated as a clin. development candidate for evaluation in patients with solid tumors.

Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 433939-28-7 belongs to class bromides-buliding-blocks, name is 1-Bromo-3-(difluoromethoxy)-5-fluorobenzene, and the molecular formula is C7H4BrF3O, Formula: C7H4BrF3O.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhou, Likai published the artcileEnantioselective Transfer Hydrogenation of Oxocarbenium Ions Enables Asymmetric Access to α-Substituted 1,3-Dihydroisobenzofurans, Recommanded Product: 2-Bromo-4-methoxybenzoic acid, the main research area is dihydroisobenzofuran preparation enantioselective; cyclic oxocarbenium ion ketal transfer hydrogenation.

Reported here is an efficient enantioselective transfer hydrogenation of cyclic oxocarbenium ions generated in situ through collapse of the corresponding acetal substrates. The asym. approach provides straightforward access to a variety of chiral α-aryl substituted 1,3-dihydroisobenzofurans in high yields with excellent enantioselectivities. α-Alkynyl substituted 1,3-dihydroisobenzofurans were also proved to be suitable substrates. In addition, when the reaction was performed at gram scale, the desired product was obtained in good yields with excellent enantioselectivity.

Synthesis published new progress about Carbocations, carbenium. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Recommanded Product: 2-Bromo-4-methoxybenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zheng, Yan-Long published the artcileNickel-Catalyzed Domino Heck-Type Reactions Using Methyl Esters as Cross-Coupling Electrophiles, Synthetic Route of 647020-71-1, the main research area is nickel catalyst Heck Suzuki Miyaura coupling methyl ester electrophile; cross-coupling; cyclizations; esters; homogeneous catalysis; nickel.

While esters are frequently used as traditional electrophiles in substitution chem., their application in cross-coupling chem. is still in its infancy. Me esters can be used as coupling electrophiles in Ni-catalyzed Heck-type reactions through the challenging cleavage of the C(acyl)-O bond under relatively mild reaction conditions at either 80 or 100°. With the σ-NiII intermediate generated from the insertion of acyl NiII species into the tethered C:C bond, carbonyl-retentive products were formed by domino Heck/Suzuki-Miyaura coupling and Heck/reduction pathways when organoboron and mild hydride nucleophiles were used.

Angewandte Chemie, International Edition published new progress about Cross-coupling reaction. 647020-71-1 belongs to class bromides-buliding-blocks, name is Methyl 2-bromo-3-fluorobenzoate, and the molecular formula is C8H6BrFO2, Synthetic Route of 647020-71-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Weixiong published the artcileDiscovery of highly potent SARS-CoV-2 Mpro inhibitors based on benzoisothiazolone scaffold, Formula: C8H7BrO3, the main research area is benzoisothiazolone scaffold SARSCoV2 coronavirus Mpro inhibitor COVID19; Benzoisothiazolone; COVID-19; Main protease inhibitors; SARS-CoV-2.

The COVID-19 pandemic has drastically impacted global economies and public health. Although vaccine development has been successful, it was not sufficient against more infectious mutant strains including the Delta variant indicating a need for alternative treatment strategies such as small mol. compound development. In this work, a series of SARS-CoV-2 main protease (Mpro) inhibitors were designed and tested based on the active compound from high-throughput diverse compound library screens. The most efficacious compound (16b-3) displayed potent SARS-CoV-2 Mpro inhibition with an IC50 value of 116 nM and selectivity against SARS-CoV-2 Mpro when compared to PLpro and RdRp. This new class of compounds could be used as potential leads for further optimization in anti COVID-19 drug discovery.

Bioorganic & Medicinal Chemistry Letters published new progress about Anticoronaviral agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Yi-Ting published the artcileNovel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2, COA of Formula: C8H7BrO3, the main research area is nucleocapsid protein phenanthridine inhibitor SARS CoV2 coronavirus COVID19; N-terminal domain; Nucleocapsid protein; Phenanthridine; SARS-CoV-2.

The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is unprecedented in human history. As a major structural protein, nucleocapsid protein (NPro) is critical to the replication of SARS-CoV-2. In this work, 17 NPro-targeting phenanthridine derivatives were rationally designed and synthesized, based on the crystal structure of NPro. Most of these compounds can interact with SARS-CoV-2 NPro tightly and inhibit the replication of SARS-CoV-2 in vitro. Compounds 12 and 16 exhibited the most potent anti-viral activities with 50% effective concentration values of 3.69 and 2.18μM, resp. Furthermore, site-directed mutagenesis of NPro and Surface Plasmon Resonance (SPR) assays revealed that 12 and 16 target N-terminal domain (NTD) of NPro by binding to Tyr109. This work found two potent anti-SARS-CoV-2 bioactive compounds and also indicated that SARS-CoV-2 NPro-NTD can be a target for new anti-virus agents.

European Journal of Medicinal Chemistry published new progress about Anticoronaviral agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, COA of Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Jing published the artcileIdentification and Elimination of an Unexpected Catalyst Poison in Suzuki Coupling, Safety of 5-Bromo-6-hydroxynicotinic acid, the main research area is unexpected Suzuki coupling catalyst poison sulfur free synthesis.

A Suzuki coupling reaction gave an uncharacteristically low conversion in a GMP campaign. Initial investigation revealed a palladium catalyst poison in the starting material. A temporary solution was developed along with contingency plans to enable successful material delivery. Further systematic studies led to the identification of elemental sulfur as the culprit. A “”sulfur-free”” synthesis of the starting material was developed for the next round of manufacturing

Organic Process Research & Development published new progress about Polymerization catalysts (poisons). 41668-13-7 belongs to class bromides-buliding-blocks, name is 5-Bromo-6-hydroxynicotinic acid, and the molecular formula is C6H4BrNO3, Safety of 5-Bromo-6-hydroxynicotinic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sarma, Jagarlapudi A. R. P. published the artcileSolid state nuclear bromination with N-bromosuccinimide. Part 1. Experimental and theoretical studies on some substituted aniline, phenol and nitro aromatic compounds, Quality Control of 10172-35-7, the main research area is aniline solid state nuclear bromination bromosuccinimide exptl theor; nitro aromatic solid state ring bromination bromosuccinimide exptl theor; phenol solid state nuclear bromination bromosuccinimide exptl theor.

Solid state bromination of a number of substituted phenol, aniline and nitro aromatic compounds with N-bromosuccinimide yields exclusively the nuclear brominated products. Reactivity in the solid state depends on the reaction time, temperature and nature of the substituent on the substrate. The reaction apparently proceeds by an electrophilic aromatic substitution pathway. MO and reaction free energy calculations also support such a view. Thermal anal. and video microscopic observation reveal the nature of the solid state reaction. Crystallinity is required for the reactivity and product selectivity. Product yield decreases with loss of selectivity when the reaction is carried out in a melt or in solution Unlike the topochem. solid state reactions wherein mol. packing is more important than the intrinsic reactivity, these reactions demonstrate the importance of both these factors.

Perkin 2 published new progress about AM1 (molecular orbital method). 10172-35-7 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxy-6-nitroaniline, and the molecular formula is C7H7BrN2O3, Quality Control of 10172-35-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Lin-Ping published the artcileA Three-Step Process to Facilitate the Enantioselective Assembly of Cis-Fused Octahydrophenanthrenes with a Quaternary Stereocenter, Application of 2-Bromo-4-methoxybenzoic acid, the main research area is iodomethyl bromobenzene cyclohexene regioselective alkylation; bromophenylethyl cyclohexene preparation enantioselective hydrogenation oxidation; bromophenyl ethyl cyclohexane preparation intramol enolate arylation; octahydrophenanthrene preparation.

A three-step process for the enantioselective assembly of cis-fused octahydrophenanthrenes with a quaternary stereocenter was reported. This synthetic strategy relied on a regioselective γ-alkylation, a one-pot sequence of asym. hydrogenation and oxidation and an intramol. enolate arylation to facilitate the rapid and enantioselective construction of cis-fused octahydrophenanthrene scaffolds with an arylated all-carbon quaternary stereocenter concisely and efficiently.

Organic Letters published new progress about Alkylation, regioselective. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Application of 2-Bromo-4-methoxybenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Denny, William A. published the artcilePotential antitumor agents. 59. Structure-activity relationships for 2-phenylbenzimidazole-4-carboxamides, a new class of minimal DNA-intercalating agents which may not act via topoisomerase II, Name: 6-Amino-3-bromo-2-methylbenzoic acid, the main research area is antitumor benzimidazolecarboxamide; antileukemic benzimidazolecarboxamide; neoplasm inhibitor benzimidazolecarboxamide; DNA minimal intercalating agent benzimidazolecarboxamide.

A series of ∼30 substituted 2-phenylbenzimidazole-4-carboxamides has been synthesized and evaluated for in vitro and in vivo antitumor activity. These compounds represent the logical conclusion to our search for “”minimal”” DNA-intercalating agents with the lowest possible DNA-binding constants Such “”2-1″” tricyclic chromophores, of lower aromaticity than the structurally-similar 2-phenylquinolines, have the lowest DNA binding affinity yet seen in the broad series of tricyclic carboxamide intercalating agents. Despite very low in vitro cytotoxicities, several of the compounds had moderate levels of in vivo antileukemic effects. However, the most interesting aspect of their biol. activity was the lack of cross-resistance shown to an amsacrine-resistant P388 cell line, suggesting that these compounds may not express their cytotoxicity via interaction with topoisomerase II. Thus, cyclization of RCHO (R = tolyl, anisyl, ClC6H4, etc.) with aminoanthranilic acid I gave benzimidazole II (R1 = OH) which was amidated with Me2N(CH2)2NH2 to give II [R1 = NH(CH2)2NMe2].

Journal of Medicinal Chemistry published new progress about Cyclocondensation reaction. 124341-06-6 belongs to class bromides-buliding-blocks, name is 6-Amino-3-bromo-2-methylbenzoic acid, and the molecular formula is C8H8BrNO2, Name: 6-Amino-3-bromo-2-methylbenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary