Category: 329-59-9

In 2004,Barroso, Santiago; Blay, Gonzalo; Cardona, Luz; Fernandez, Isabel; Garcia, Begona; Pedro, Jose R. published 《Highly Diastereoselective Arylation of (S)-Mandelic Acid Enolate: Enantioselective Synthesis of Substituted (R)-3-Hydroxy-3-phenyloxindoles and (R)-Benzylic Acids and Synthesis of Nitrobenzophenones》.Journal of Organic Chemistry published the findings.Formula: C8H6FNO4 The information in the text is summarized as follows:

An easy access to substituted (R)-3-hydroxy-3-phenyloxindoles, (R)-benzylic acids, and benzophenones is described. The reaction of the lithium enolate of the (2S,5S)-cis-1,3-dioxolan-4-one, derived from optically active (S)-mandelic acid and pivalaldehyde, with several o- and p-halonitrobenzenes proceeds readily to give the corresponding arylation products in good yields and diastereoselectivities. The reduction of the nitro group with Zn/HCl/EtOH in the o-nitro arylation products with concomitant intramol. aminolysis of the dioxolanone moiety leads directly to enantiomerically pure (R)-3-hydroxy-3-phenyloxindoles. On the other hand the basic hydrolysis of the dioxolanone moiety in all the arylation products (ortho and para) leads to enantiomerically pure substituted (R)-benzylic acids. The oxidative decarboxylation of these latter with oxygen as terminal oxidant in the presence of pivalaldehyde and the Co(III)-Me2opba complex as catalyst gives substituted nitrobenzophenones. In the experimental materials used by the author, we found Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Formula: C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Formula: C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2014,Brink, Mikael; Dahlen, Anders; Olsson, Thomas; Polla, Magnus; Svensson, Tor published 《Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa)》.Bioorganic & Medicinal Chemistry published the findings.HPLC of Formula: 329-59-9 The information in the text is summarized as follows:

A series of 4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acid and 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid derivatives designed as inhibitors of TAFIa has been prepared via a common hydrogenation-alkylation sequence starting from the appropriate benzimidazole and imidazopyridine system. We present a successful design strategy using a conformational restriction approach resulting in potent and selective inhibitors of TAFIa. The X-ray structure of compound 5 in complex with a H333Y/H335Q double mutant TAFI indicate that the conformational restriction is responsible for the observed potency increase. In the experimental materials used by the author, we found Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9HPLC of Formula: 329-59-9)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.HPLC of Formula: 329-59-9Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2016,Deng, Hongfeng; Zhou, Jingye; Sundersingh, Flora; Messer, Jeffrey A.; Somers, Donald O.; Ajakane, Myriam; Arico-Muendel, Christopher C.; Beljean, Arthur; Belyanskaya, Svetlana L.; Bingham, Ryan; Blazensky, Emily; Boullay, Anne-Benedicte; Boursier, Eric; Chai, Jing; Carter, Paul; Chung, Chun-Wa; Daugan, Alain; Ding, Yun; Herry, Kenny; Hobbs, Clare; Humphries, Eric; Kollmann, Christopher; Nguyen, Van Loc; Nicodeme, Edwige; Smith, Sarah E.; Dodic, Nerina; Ancellin, Nicolas published 《Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors》.ACS Medicinal Chemistry Letters published the findings.Computed Properties of C8H6FNO4 The information in the text is summarized as follows:

To identify BCATm inhibitors suitable for in vivo study, Encoded Library Technol. (ELT) was used to affinity screen a 117 million member benzimidazole based DNA encoded library, which identified an inhibitor series with both biochem. and cellular activities. Subsequent SAR studies led to the discovery of a highly potent and selective compound I with much improved PK properties. X-ray structure revealed that I binds to the active site of BACTm in a unique mode via multiple H-bond and van der Waals interactions. After oral administration, I raised mouse blood levels of all three branched chain amino acids as a consequence of BCATm inhibition. In the experimental materials used by the author, we found Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Computed Properties of C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Computed Properties of C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2016,Li, Dong-Dong; Wang, Zhi-Hui; Chen, Wei-Lin; Xie, Yi-Yue; You, Qi-Dong; Guo, Xiao-Ke published 《Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction》.Bioorganic & Medicinal Chemistry published the findings.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate The information in the text is summarized as follows:

WDR5 is an essential protein for enzymic activity of MLL1. Targeting the protein-protein interaction (PPI) between MLL1 and WDR5 represents a new potential therapeutic strategy for MLL leukemia. Based on the structure of reported inhibitor WDR5-0103, a class of ester compounds were designed and synthesized to disturb MLL1-WDR5 PPI. These inhibitors efficiently inhibited the histone methyltransferase activity in vitro. Especially, WL-15 was one of the most potent inhibitors, blocking the interaction of MLL1-WDR5 with IC50 value of 26.4 nM in competitive binding assay and inhibiting the catalytic activity of MLL1 complex with IC50 value of 5.4 μM. Docking model indicated that ester compounds suitably occupied the central cavity of WDR5 protein and recapitulated the interactions of WDR5-0103 and the hydrophobic groups and key amino greatly increased the activity in blocking MLL1-WDR5 PPI.Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate) was used in this study.

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2017,Shintre, Suhas A.; Ramjugernath, Deresh; Singh, Parvesh; Mocktar, Chunderika; Koorbanally, Neil A. published 《Microwave synthesis, biological evaluation and docking studies of 2-substituted methyl 1-(4-fluorophenyl)-1H-benzimidazole-5-carboxylates》.Medicinal Chemistry Research published the findings.COA of Formula: C8H6FNO4 The information in the text is summarized as follows:

A library of 22 novel 2-substituted fluorinated benzimidazoles (5a-v) was synthesized under microwave conditions in yields of between 85-96% and tested for their antimicrobial and antioxidant activity. Two trioxygenated derivatives 5p and 5r had min. bactericidal concentration values ranging between 14.5-115.7 μM (5p) and 25.6-74.3 μM (5r) against S. aureus, E. coli, P. aeruginosa and K. pneumoniae. The benzimidazole 5e with a CF3 substituent had the best antifungal activity at 94.3 μM against C. albicans. Compounds 5p and 5r also showed good antioxidant activities of 386.6 and 306.7 μM resp., comparable to that of ascorbic acid. Docking studies of 5h and 5r into the active site of topoisomerase II DNA-gyrase indicated that interaction with the Mn2+ ion in the active site of the enzyme was crucial for antibacterial activity. The experimental process involved the reaction of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9COA of Formula: C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.COA of Formula: C8H6FNO4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Formula: C8H6FNO4In 2005 ,《Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase》 appeared in Journal of Medicinal Chemistry. The author of the article were McClure, Kim F.; Abramov, Yuriy A.; Laird, Ellen R.; Barberia, John T.; Cai, Weiling; Carty, Thomas J.; Cortina, Santo R.; Danley, Dennis E.; Dipesa, Alan J.; Donahue, Kathleen M.; Dombroski, Mark A.; Elliott, Nancy C.; Gabel, Christopher A.; Han, Seungil; Hynes, Thomas R.; LeMotte, Peter K.; Mansour, Mahmoud N.; Marr, Eric S.; Letavic, Michael A.; Pandit, Jayvardhan; Ripin, David B.; Sweeney, Francis J.; Tan, Douglas; Tao, Yong. The article conveys some information:

Mimics of the benzimidazolone nucleus found in inhibitors of p38 kinase are proposed, and their theor. potential as bioisosteres is described. A set of calculated descriptors relevant to the anticipated binding interaction for the fragments 1-methyl-1H-benzotriazole, 3-methylbenzo[d]isoxazole, and 3-methyl[1,2,4]triazolo[4,3-a]pyridine, pyridine, and 1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one are reported. The design considerations and synthesis of p38 inhibitors based on these H-bond acceptor fragments is detailed. Comparative evaluation of the pyridine-, benzimidazolone-, benzotriazole-, and triazolopyridine-based inhibitors shows the triazoles I and II to be significantly more potent exptl. than the benzimidazolone after which they were modeled. An X-ray crystal structure of II bound to the active site shows that the triazole group serves as the H-bond acceptor but unexpectedly as a dual acceptor, inducing movement of the crossover connection of p38α. The computed descriptors for the hydrophobic and π-π interaction capacities were the most useful in ranking potency. In the experimental materials used by the author, we found Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Formula: C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Formula: C8H6FNO4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《Triaryl Benzimidazoles as a New Class of Antibacterial Agents against Resistant Pathogenic Microorganisms》 was written by Picconi, Pietro; Hind, Charlotte; Jamshidi, Shirin; Nahar, Kazi; Clifford, Melanie; Wand, Matthew E.; Sutton, J. Mark; Rahman, Khondaker Miraz. SDS of cas: 329-59-9This research focused ontriaryl benzimidazole preparation antibacterial activity pathogenic Microorganisms; DNA minor groove binder triaryl benzimidazole preparation. The article conveys some information:

A new class of nontoxic triaryl benzimidazole compounds, derived from existing classes of DNA minor groove binders, were designed, synthesized, and evaluated for their antibacterial activity against multidrug resistant (MDR) Gram-pos. and Gram-neg. species. Mol. modeling experiments suggest that the newly synthesized class cannot be accommodated within the minor groove of DNA due to a change in the shape of the mols. Compounds 2-methyl-1-(5-{3-[(2-methyl-3H-benzoimidazole-5-carbonyl)amino]-phenyl}-pyridin-2-yl)-1H-benzoimidazole-5-carboxylic acid (2-Dimethylaminoethyl)amide (8), 2-methyl-1-(5-{3-[(2-methyl-3H-benzoimidazole-5-carbonyl)amino]-phenyl}-pyridin-2-yl)-1H-benzoimidazole-5-carboxylic acid(3-dimethylaminopropyl)amide (13), and N-(4-(dimethylamino)butyl)-2-methyl-1-(5-(3-(2-methyl-1H-benzo[d]imidazole-6-carboxamido)phenyl)pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamide (14) were the most active of the series, with MICs in the range of 0.5-4 μg/mL against the MDR Staphylococci and Enterococci species. Compound 13 showed moderate activity against the MDR Gram-neg. strains, with MICs in the range of 16-32 μg/mL. Active compounds showed a bactericidal mode of action, and a mechanistic study suggested the inhibition of bacterial gyrase as the mechanism of action (MOA) of this chem. class. The MOA was further supported by the mol. modeling study. In addition to this study using Methyl 4-fluoro-3-nitrobenzoate, there are many other studies that have used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9SDS of cas: 329-59-9) was used in this study.

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.SDS of cas: 329-59-9

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Medina, Jesus R.; Tian, Xinrong; Li, William H.; Suarez, Dominic; Mack, James F.; LaFrance, Louis; Martyr, Cuthbert; Brackley, James; Di Marco, Christina; Rivero, Ralph; Heerding, Dirk A.; McHugh, Charles; Minthorn, Elisabeth; Bhaskar, Aishwarya; Rubin, Jacob; Butticello, Michael; Carpenter, Christopher; Nartey, Eldridge N.; Berrodin, Thomas J.; Kallal, Lorena A.; Mangatt, Biju published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Cell-Based Drug Discovery: Identification and Optimization of Small Molecules that Reduce c-MYC Protein Levels in Cells》.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate The article contains the following contents:

Elevated expression of the c-MYC oncogene is one of the most common abnormalities in human cancers. Unfortunately, efforts to identify pharmacol. inhibitors that directly target MYC have not yet yielded a drug-like mol. due to the lack of any known small mol. binding pocket in the protein, which could be exploited to disrupt MYC function. We have recently described a strategy to target MYC indirectly, where a screening effort designed to identify compounds that can rapidly decrease endogenous c-MYC protein levels in a MYC-amplified cell line led to the discovery of a compound series that phenocopies c-MYC knockdown by siRNA. Herein, we describe our medicinal chem. program that led to the discovery of potent, orally bioavailable c-MYC-reducing compounds The development of a min. pharmacophore model based on empirical structure activity relationship as well as the property-based approach used to modulate pharmacokinetics properties will be highlighted. The experimental part of the paper was very detailed, including the reaction process of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2011,Patch, Raymond J.; Searle, Lily L.; Kim, Alexander J.; De, Debyendu; Zhu, Xizhen; Askari, Hossein B.; O’Neill, John C.; Abad, Marta C.; Rentzeperis, Dionisios; Liu, Jianying; Kemmerer, Michael; Lin, Ling; Kasturi, Jyotsna; Geisler, John G.; Lenhard, James M.; Player, Mark R.; Gaul, Micheal D. published 《Identification of Diaryl Ether-Based Ligands for Estrogen-Related Receptor α as Potential Antidiabetic Agents》.Journal of Medicinal Chemistry published the findings.Computed Properties of C8H6FNO4 The information in the text is summarized as follows:

Estrogen-related receptor α (ERRα) is an orphan nuclear receptor that has been functionally implicated in the regulation of energy homeostasis. Herein is described the development of diaryl ether based thiazolidenediones, which function as selective ligands against this receptor. Series optimization provided several potent analogs that inhibit the recruitment of a coactivator peptide fragment in in vitro biochem. assays (IC50 < 150 nM) and cellular two-hybrid reporter assays against the ligand binding domain (IC50 = 1-5 μM). A cocrystal structure of the ligand-binding domain of ERRα with lead compound 29 (I) revealed the presence of a covalent interaction between the protein and ligand, which has been shown to be reversible. In diet-induced murine models of obesity and in an overt diabetic rat model, oral administration of 29 normalized insulin and circulating triglyceride levels, improved insulin sensitivity, and was body weight neutral. This provides the first demonstration of functional activities of an ERRα ligand in metabolic animal models. After reading the article, we found that the author used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Computed Properties of C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Computed Properties of C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2012,Barve, Indrajeet J.; Chen, Chan-Yu; Salunke, Deepak B.; Chung, Wen-Sheng; Sun, Chung-Ming published 《Design and Synthesis of New Biprivileged Molecular Scaffolds: Indolo-Fused Benzodiazepinyl/quinoxalinyl benzimidazoles》.Chemistry – An Asian Journal published the findings.Safety of Methyl 4-fluoro-3-nitrobenzoate The information in the text is summarized as follows:

The design and synthesis of new biprivileged mol. scaffolds with diverse structural features is reported. Com. available, simple heterocyclic building blocks such as 4-fluoro-3-nitrobenzoic acid, 2-chloro-3-nitrobenzoic acid, and indoline were utilized for the synthesis of the novel heterocycles. Pictet-Spengler-type condensation was used as a key step to construct tetracyclic indolobenzodiazepines and indoloquinoxalines linked with substituted benzimidazoles. Anal. of single crystals of representative compounds showed that these mol. skeletons have the potential to present various substituents with distinct three-dimensional orientations. The experimental process involved the reaction of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Safety of Methyl 4-fluoro-3-nitrobenzoate)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Safety of Methyl 4-fluoro-3-nitrobenzoateMethyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics