Category: 16426-64-5

Vogel, Wilfried; Heitz, Walter published the artcile< Liquid-crystalline poly(4-hydroxybenzoates) with phenethyl side chains>, Recommanded Product: 2-Bromo-4-nitrobenzoic acid, the main research area is polyhydroxybenzoate liquid crystal phenethyl substituent; statistical substituent polyester liquid crystal.

An important means to decrease the m.p. of liquid-crystalline polymers is the statistical arrangement of substituents along the chain. Thermotropic liquid-crystalline poly(4-hydroxybenzoates) bearing one phenethyl substituent in different positions of the monomer were synthesized via melt polycondensation. The relation between the arrangement of the substituent along the polymer backbone and the properties of the polyesters was investigated. The 2 polyesters with the substituent either in 2- or 3-position revealed highly crystalline and poorly soluble products. In contrast to this, the random copolyester is an amorphous and well-soluble polymer.

Makromolekulare Chemie published new progress about Crystallinity. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Recommanded Product: 2-Bromo-4-nitrobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chu, John C. K.; Dalton, Derek M.; Rovis, Tomislav published the artcile< Zn-Catalyzed Enantio- and Diastereoselective Formal [4 + 2] Cycloaddition Involving Two Electron-Deficient Partners: Asymmetric Synthesis of Piperidines from 1-Azadienes and Nitro-Alkenes>, Related Products of 16426-64-5, the main research area is zinc catalyst stereoselective formal cycloaddition azadiene nitroalkene kinetics; stereoselective preparation piperidine.

We report a catalytic asym. synthesis of piperidines, e.g. I, through [4 + 2] cycloaddition of 1-azadienes and nitro-alkenes. The reaction uses earth abundant Zn as catalyst and is highly diastereo- and regioselective. A novel BOPA ligand (F-BOPA) confers high reactivity and enantioselectivity in the process. The presence of ortho substitution on the arenes adjacent to the bis(oxazolines) was found to be particularly impactful, due to limiting the undesired coordination of 1-azadiene to the Lewis acid and thus allowing the reaction to be carried out at lower temperature A series of secondary kinetic isotope effect studies using a range of ligands implicates a stepwise mechanism for the transformation, involving an initial Michael-type addition of the imine to the nitro-alkene followed by a cyclization event. The stepwise mechanism obviates the electronic requirement inherent to a concerted mechanism, explaining the successful cycloaddition between two electron-deficient partners.

Journal of the American Chemical Society published new progress about [4+2] Cycloaddition reaction (formal stereoselective). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Related Products of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shen, Xiaoqiang; Jones, Gavin O.; Watson, Donald A.; Bhayana, Brijesh; Buchwald, Stephen L. published the artcile< Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations>, Reference of 16426-64-5, the main research area is enantioselective preparation axially chiral biaryl; palladium catalyzed Suzuki Miyaura substrate scope quantum mech crystallog.

The authors report efficient syntheses of axially chiral biaryl amides in yields ranging from 80-92%, and with enantioselectivity in the range 88-94% ee employing an asym. Suzuki-Miyaura process with Pd(OAc)2 and KenPhos as ligand. Electron-rich and electron-deficient o-halobenzamides can be efficiently coupled with 2-methyl-1-naphthylboronic acid and 2-ethoxy-1-naphthylboronic acid. The yields and selectivities of the reactions are independent of the nature of halogen substituent on the benzamide coupling partner. Studies demonstrate that axially chiral heterocyclic and biphenyl compounds can also be synthesized with this methodol. The authors also report computational studies used to determine the origin of stereoselectivity during the selectivity-determining reductive elimination step of the related coupling of tolylboronic acid with naphthylphosphonate bromide that was reported in a previous publication. The stereoselectivity arises from a combination of weak -(C)H··O interactions as well as steric interactions between the tolyl and naphthylphosphonate addends in the transition state for C-C coupling.

Journal of the American Chemical Society published new progress about Amides Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Reference of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ohkanda, Junko; Strickland, Corey L.; Blaskovich, Michelle A.; Carrico, Dora; Lockman, Jeffrey W.; Vogt, Andreas; Bucher, Cynthia J.; Sun, Jiazhi; Qian, Yimin; Knowles, David; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D. published the artcile< Structure-based design of imidazole-containing peptidomimetic inhibitors of protein farnesyltransferase>, SDS of cas: 16426-64-5, the main research area is structure design imidazole peptidomimetic inhibitor protein farnesyltransferase antitumor; Suzuki coupling imidazole peptidomimetic inhibitor protein farnesyltransferase antitumor.

A series of imidazole-containing peptidomimetic PFTase inhibitors and their co-crystal structures bound to PFTase and FPP are reported. The structures reveal that the peptidomimetics adopt a similar conformation to that of the extended CVIM tetrapeptide, with the imidazole group coordinating to the catalytic zinc ion. Both mono- and bis-imidazole-containing derivatives, 13 and 16, showed remarkably high enzyme inhibition activity against PFTase in vitro with IC50 values of 0.86 and 1.7 nM, resp. The peptidomimetics were also highly selective for PFTase over PGGTase-I both in vitro and in intact cells. In addition, peptidomimetics 13 and 16 were found to suppress tumor growth in nude mouse xenograft models with no gross toxicity at a daily dose of 25 mg·kg-1.

Organic & Biomolecular Chemistry published new progress about Antitumor agents. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, SDS of cas: 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shestakov, V. A.; Lisitsyn, V. N. published the artcile< Mobility of bromide atoms in 4-substituted 2-bromobenzoic acids during copper(I) catalysis>, COA of Formula: C7H4BrNO4, the main research area is bromo benzoic acid substitution; benzoic acid bromo substitution; substitution bromo benzoic acid.

The effect of R in 4,2-RBrC6H3-CO2H on the mobility of Br in aqueous piperidine at 60° in the presence of CuCl varies in the order OH > NH2 > I > H > NO2. Thus, the introduction of an electron-donor substituent facilitates the formation of a Cu-Br bond and increases the tendency of an aryl halogen to substitution reactions.

Trudy Instituta – Moskovskii Khimiko-Tekhnologicheskii Institut imeni D. I. Mendeleeva published new progress about Solvolysis. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, COA of Formula: C7H4BrNO4.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

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

Long, Rong; Huang, Jun; Shao, Wenbin; Liu, Song; Lan, Yu; Gong, Jianxian; Yang, Zhen published the artcile< Asymmetric total synthesis of (-)-lingzhiol via a Rh-catalysed [3+2] cycloaddition>, Application In Synthesis of 16426-64-5, the main research area is lingzhiol asym total synthesis rhodium catalyzed cycloaddition.

The development of efficient reactions for the one-pot construction of bicyclic ring systems bearing two quaternary carbon centers at their bridgehead positions represents a significant challenge to synthetic chem. The development of new methods capable of overcoming this challenge is highly desirable, because this motif can be found in a wide range of natural products with significant biol. activities. Herein, we report an efficient [3+2] cycloaddition reaction between an enal and an alleno rhodium species, which was generated in situ from the corresponding enynol via a retro metal-propargylation reaction, to give [3.3.0] and [3.4.0] bicyclic systems bearing two quaternary atoms at their bridgehead positions. The developed chem. has been successfully applied to the asym. total synthesis of natural product (-)-lingzhiol (I) for the first time in 17 steps.

Nature Communications published new progress about [3+2] Cycloaddition reaction, stereoselective. 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

Bhaumik, Asish; Eswaraiah, M. Chinna; Chakraborty, Raja published the artcile< Evaluation of antimicrobial profile of some novel 1, 3, 4-oxadiazole derivatives followed by molecular docking against 3G7E bacterial DNA gyrase>, Electric Literature of 16426-64-5, the main research area is oxadiazole derivative preparation mol docking 3G7E bacterial DNA gyrase; physicochem property antibacterial antifungal oxadiazole derivative preparation.

Design, synthesis, spectral characterization and evaluation of in vitro antimicrobial profile of some novel oxadiazole derivatives I [R = 4-NH2, 2-Br, 4-NO2, etc.] followed by mol. docking studies against bacterial DNA gyrase. The mol. structures of the synthesized compounds were assigned by IR, NMR and mass spectral anal. Mol. docking studies were carried out by AUTO DOCK program. The in vitro antibacterial and antifungal activities of compounds I were done by paper disk diffusion and agar streak dilution technique. In silico mol. docking studies the binding energy of synthesized compounds I were found to be -7.66, -7.67, -7.12, – 7.12, -6.59, -6.46, -7.35, -5.09 which indicated that the compounds had the high binding affinity toward the bacterial DNA gyrase with PDB id 3G7E and inhibit the function topoisomerase in comparison with standard drug ciprofloxacin (-7.44). The preliminary antimicrobial screening displayed that most of the synthesized compounds I were executed moderate to good antimicrobial activity against following bacteria: S. aureus (ATCC 9144), B. subtilis (ATCC 6633), S. epidermidis (ATCC 12228), P. Aeruginosa (ATCC27853), E.coli (ATCC25922), V. cholerrae (ATCC14035) and fungi: A. Niger (ATCC 9029), A.flavus (ATCC204304), C. albicans (ATCC10231) and B. dermatitis (ATCC 26199) etc. All the synthesized compounds I exhibited moderate to good antibacterial and antifungal activity with an MIC range of 12-37μg/mL. Among these eight synthesized oxadiazole derivatives, compound I [R = 4-NH2, 2,4-Cl2, 3,5-(NO2)2] were found to be very good antibacterial as well as antifungal potentiality with an MIC range of 13-12μg/mL; 7-10μg/mL and 15-18μg/mL.

Journal of Drug Delivery and Therapeutics published new progress about Acids Role: RCT (Reactant), RACT (Reactant or Reagent). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Electric Literature of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Amano, Katsushi; Leung, Patrick S. C.; Rieger, Roman; Quan, Chao; Wang, Xiaobing; Marik, Jan; Suen, Yat Fan; Kurth, Mark J.; Nantz, Michael H.; Ansari, Aftab A.; Lam, Kit S.; Zeniya, Mikio; Matsuura, Eiji; Coppel, Ross L.; Gershwin, M. Eric published the artcile< Chemical Xenobiotics and Mitochondrial Autoantigens in Primary Biliary Cirrhosis: Identification of Antibodies against a Common Environmental, Cosmetic, and Food Additive, 2-Octynoic Acid>, HPLC of Formula: 16426-64-5, the main research area is xenobiotic mitochondria autoantigen primary biliary cirrhosis antibody.

Emerging evidence has suggested environmental factors as causative agents in the pathogenesis of primary biliary cirrhosis (PBC). The authors have hypothesized that in PBC the lipoyl domain of the immunodominant E2 component of pyruvate dehydrogenase (PDC-E2) is replaced by a chem. xenobiotic mimic, which is sufficient to break self-tolerance. To address this hypothesis, based upon the quant. structure-activity relationship data, a total of 107 potential xenobiotic mimics were coupled to the lysine residue of the immunodominant 15 amino acid peptide of the PDC-E2 inner lipoyl domain and spotted on microarray slides. Sera from patients with PBC (n = 47), primary sclerosing cholangitis (n = 15), and healthy volunteers (n = 20) were assayed for Ig reactivity. PBC sera were subsequently absorbed with native lipoylated PDC-E2 peptide or a xenobiotically modified PDC-E2 peptide, and the remaining reactivity analyzed. Of the 107 xenobiotics, 33 had a significantly higher IgG reactivity against PBC sera compared with control sera. In addition, 9 of those 33 compounds were more reactive than the native lipoylated peptide. Following absorption, 8 of the 9 compounds demonstrated cross-reactivity with lipoic acid. One compound, 2-octynoic acid, was unique in both its quant. structure-activity relationship anal. and reactivity. PBC patient sera demonstrated high Ig reactivity against 2-octynoic acid-PDC-E2 peptide. Not only does 2-octynoic acid have the potential to modify PDC-E2 in vivo but importantly it was/is widely used in the environment including perfumes, lipstick, and many common food flavorings.

Journal of Immunology published new progress about Autoantibodies Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, HPLC of Formula: 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Oh, Soo-Jin; Hwang, Seok Jin; Jung, Jonghoon; Yu, Kuai; Kim, Jeongyeon; Choi, Jung Yoon; Hartzell, H. Criss; Roh, Eun Joo; Lee, C. Justin published the artcile< MONNA, a potent and selective blocker for transmembrane protein with unknown function 16/anoctamin-1>, Quality Control of 16426-64-5, the main research area is oocyte structure activity relationship plasma membrane; MONNA ANO1 protein blocker anthranilic acid derivative screening Xenopus.

Transmembrane protein with unknown function 16/anoctamin-1 (ANO1) is a protein widely expressed in mammalian tissues, and it has the properties of the classic calcium-activated chloride channel (CaCC). This protein has been implicated in numerous major physiol. functions. However, the lack of effective and selective blockers has hindered a detailed study of the physiol. functions of this channel. In this study, we have developed a potent and selective blocker for endogenous ANO1 in Xenopus laevis oocytes (xANO1) using a drug screening method we previously established. We have synthesized a number of anthranilic acid derivatives and have determined the correlation between biol. activity and the nature and position of substituents in these derived compounds A structure-activity relationship revealed novel chem. classes of xANO1 blockers. The derivatives contain a -NO2 group on position 5 of a naphthyl group-substituted anthranilic acid, and they fully blocked xANO1 chloride currents with an IC50 < 10 μM. The most potent blocker, N-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid (MONNA), had an IC50 of 0.08 μM for xANO1. Selectivity tests revealed that other chloride channels such as bestrophin-1, chloride channel protein 2, and cystic fibrosis transmembrane conductance regulator were not appreciably blocked by 10∼30 μM MONNA. The potent and selective blockers for ANO1 identified here should permit pharmacol. dissection of ANO1/CaCC function and serve as potential candidates for drug therapy of related diseases such as hypertension, cystic fibrosis, bronchitis, asthma, and hyperalgesia. Molecular Pharmacology published new progress about Anoctamins, Ano1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Quality Control of 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary