Author: Jessica.F

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

Binder, Jorg T.; Cordier, Christopher J.; Fu, Gregory C. published the artcile< Catalytic Enantioselective Cross-Couplings of Secondary Alkyl Electrophiles with Secondary Alkylmetal Nucleophiles: Negishi Reactions of Racemic Benzylic Bromides with Achiral Alkylzinc Reagents>, Reference of 405931-46-6, the main research area is secondary benzylic bromide cycloalkylzinc reagent nickel catalyzed Negishi coupling; chiral isoquinoline oxazoline ligand stereoselective Negishi coupling; acyclic alkylzinc reagent Negishi cross coupling isomerization.

The authors have developed a nickel-catalyzed method for the asym. cross-coupling of secondary electrophiles with secondary nucleophiles, specifically, stereoconvergent Negishi reactions of racemic benzylic bromides with achiral cycloalkylzinc reagents. In contrast to most previous studies of enantioselective Negishi cross-couplings, tridentate pybox ligands are ineffective in this process; however, a new, readily available bidentate isoquinoline-oxazoline ligand I furnishes excellent ee’s and good yields. Ent-I is also used to provide products of opposite configuration with excellent ee’s and good yields. The use of acyclic alkylzinc reagents as coupling partners led to the discovery of a highly unusual isomerization that generates a significant quantity of a branched cross-coupling product from an unbranched nucleophile.

Journal of the American Chemical Society published new progress about Aralkyl bromides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (secondary). 405931-46-6 belongs to class bromides-buliding-blocks, and the molecular formula is C8H8BrF, Reference of 405931-46-6.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Grimshaw, James; Prasanna de Silva, A. published the artcile< Photocyclization of aryl halides. Part 4. 5-(2-Halophenyl)-1,3-diphenyl-Δ2-pyrazolines. Predissociation and electron transfer between intramolecular but separate chromophores>, Formula: C8H4BrNO, the main research area is pyrazoline halophenyl diphenyl photocyclization; halophenyldiphenylpyrazoline photochem ring closure; phenylpyrazoline halophenyl photocyclization.

Photoreaction of 5-(2-iodophenyl)-1,3-diphenyl-Δ2-pyrazoline (I) proceeds by simple bond homolysis from the S1° state to give 1,3,5-triphenylpyrazoline and 2-phenylpyrazolo[1,5-f]phenanthridine in a ratio which depends on the H atom donor ability of the hydrocarbon solvent. The quantum yield for decomposition of I depends on the viscosity of the hydrocarbon solvent and on the temperature The corresponding chloro and bromo compounds cyclize slowly and the 3-iodo- and 4-iodophenyl compounds are photostable. Consideration of these facts and the complementary fluorescence data suggests a mechanism of interchromophoric predissociation to an nσ* state. However, examples are given where there is a smaller electron donor-acceptor energy gap between the 2 chromophores so that photoreaction occurs by an electron transfer path.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about Photocyclization. 89003-95-2 belongs to class bromides-buliding-blocks, and the molecular formula is C8H4BrNO, Formula: C8H4BrNO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jiang, Lin; Jin, Wen-Fei; Yu, Liu-Dong; Yuan, Ming-Wei; Li, Hong-Li; Jiang, Deng-Bang; Yuan, Ming-Long published the artcile< Regioselective synthesis of benzonitriles via amino-catalyzed [3+3] benzannulation reaction>, Application of C9H7BrO, the main research area is arylsulfonyl biphenyl carbonitrile preparation green chem regioselective pyrrolidine catalyst; unsaturated aldehyde arylsulfonyl butenenitrile benzannulation.

A straightforward synthesis of benzonitriles I (Ar = Ph, p-ClC6H4, m-NO2-C6H4, etc.; Ar1 = Ph, p-Tol) is achieved via amino-catalyzed [3+3] benzannulation of α,β-unsaturated aldehydes and 4-arylsulfonyl-2-butenenitriles. Using pyrrolidine as an organocatalyst via iminium activation, a series of substituted benzonitriles were obtained in good to high yields in a regioselective manner. This reaction can proceed smoothly under mild reaction conditions and without the aid of any metals, addnl. oxidants, or strong bases, thus making this an efficient and environmentally friendly method to access benzonitriles.

Journal of Chemical Research published new progress about Aromatic nitriles Role: SPN (Synthetic Preparation), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Application of C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cheng, Yong-Feng; Liu, Ji-Ren; Gu, Qiang-Shuai; Yu, Zhang-Long; Wang, Jian; Li, Zhong-Liang; Bian, Jun-Qian; Wen, Han-Tao; Wang, Xiao-Jing; Hong, Xin; Liu, Xin-Yuan published the artcile< Catalytic enantioselective desymmetrizing functionalization of alkyl radicals via Cu(I)/CPA cooperative catalysis>, Reference of 14062-30-7, the main research area is THF analog enantioselective diastereoselective preparation reaction mechanism; alkene tethered diol Togni reagent desymmetrizing cyclization copper catalyst.

A general and efficient catalytic enantioselective desymmetrizing functionalization of alkene-tethered 1,3-diols was developed. It provided various tetrahydrofurans and analogs such as I [R1 = H, 3-furyl, 4-BrC6H4, etc.; R2 = 3-MeOC6H4, 3-furyl, 1-naphthyl, etc.; R3 = CF3, n-C4F9] bearing multiple stereocenters with remarkably high levels of enantio- and diastereocontrol. DFT calculations and mechanistic experiments revealed a reaction mechanism involving an enantiodetermining outer-sphere C-O bond formation step.

Nature Catalysis published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Reference of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yu, Han; Zhao, Qixin; Wei, Zheyu; Wu, Zhikang; Li, Qi; Han, Sheng; Wei, Yongge published the artcile< Iron-catalyzed oxidative functionalization of C(sp3)-H bonds under bromide-synergized mild conditions>, Application In Synthesis of 2725-82-8, the main research area is ketone preparation green chem; ethyl compound selective oxidation reaction iron catalyst.

An efficient oxidation and functionalization of C-H bonds with an inorganic-ligand supported iron catalyst and hydrogen peroxide to prepare the corresponding ketones, e.g., 9H-fluoren-9-one was achieved using the bromide ion as a promoter. Preliminary mechanistic investigations indicated that the bromide ion can bind to FeMo6 to form a supramol. species (FeMo6.2Br), which can effectively catalyze the reaction.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkanes Role: RCT (Reactant), RACT (Reactant or Reagent). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Application In Synthesis of 2725-82-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cook, Ian; Cacace, Mary; Wang, Ting; Darrah, Kristie; Deiters, Alexander; Leyh, Thomas S. published the artcile< Small-molecule control of neurotransmitter sulfonation>, COA of Formula: C7H6BrNO, the main research area is dopamine metabolite neurotransmitter sulfonation; SULT1A3; allosteric; catecholamine; human mammary epithelial cells; inhibitor; molecular dynamics; neurotransmitter; structure activity relationship; sulfotransferase.

Controlling unmodified serotonin levels in brain synapses is a primary objective when treating major depressive disorder-a disease that afflicts ∼20% of the world′s population. Roughly 60% of patients respond poorly to first-line treatments and thus new therapeutic strategies are sought. To this end, we have constructed isoform-specific inhibitors of the human cytosolic sulfotransferase 1A3 (SULT1A3)-the isoform responsible for sulfonating ∼80% of the serotonin in the extracellular brain fluid. The inhibitor design includes a core ring structure, which anchors the inhibitor into a SULT1A3-specific binding pocket located outside the active site, and a side chain crafted to act as a latch to inhibit turnover by fastening down the SULT1A3 active-site cap. The inhibitors are allosteric, they bind with nanomolar affinity and are highly specific for the 1A3 isoform. The cap-stabilizing effects of the latch can be accurately calculated and are predicted to extend throughout the cap and into the surrounding protein. A free-energy correlation demonstrates that the percent inhibition at saturating inhibitor varies linearly with cap stabilization – the correlation is linear because the rate-limiting step of the catalytic cycle, nucleotide release, scales linearly with the fraction of enzyme in the cap-open form. Inhibitor efficacy in cultured cells was studied using a human mammary epithelial cell line that expresses SULT1A3 at levels comparable with those found in neurons. The inhibitors perform similarly in ex vivo and in vitro studies; consequently, SULT1A3 turnover can now be potently suppressed in an isoform-specific manner in human cells.

Journal of Biological Chemistry published new progress about Allosterism. 29124-57-0 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO, COA of Formula: C7H6BrNO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wales, David J. published the artcile< Symmetry, near-symmetry and energetics. [Erratum to document cited in CA128:313179]>, Recommanded Product: 4-Bromoisobenzofuran-1,3-dione, the main research area is erratum symmetry energetic correlation; symmetry energetic correlation erratum; total energy symmetry correlation erratum; mean energy symmetry correlation erratum.

On page 332, there is a missing < and r appears in the wrong font in the sentence beginning : ""The {εt'} set..."". In Eq. (4) and on the top of page 333, the variance is missing the term 〈(A'ε')2〉n' - 〈A'ε'〉n2. Brackets are missing around Reference [24]. In the Fig. 1 caption, ""39809 and 81534"" should be ""39809 and 82735"". Chemical Physics Letters published new progress about Cluster structure. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Recommanded Product: 4-Bromoisobenzofuran-1,3-dione.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Melin, Lea; Abdullayev, Shuay; Fnaiche, Ahmed; Vu, Victoria; Gonzalez Suarez, Narjara; Zeng, Hong; Szewczyk, Magdalena M.; Li, Fengling; Senisterra, Guillermo; Allali-Hassani, Abdellah; Chau, Irene; Dong, Aiping; Woo, Simon; Annabi, Borhane; Halabelian, Levon; LaPlante, Steven R.; Vedadi, Masoud; Barsyte-Lovejoy, Dalia; Santhakumar, Vijayaratnam; Gagnon, Alexandre published the artcile< Development of LM98, a Small-Molecule TEAD Inhibitor Derived from Flufenamic Acid>, Synthetic Route of 6942-39-8, the main research area is anticancer agent cell migration TEAD LM98 flufenamic acid; Flufenamic acid; Hippo pathway; SAR; TEAD; palmitic acid.

The YAP-TEAD transcriptional complex is responsible for the expression of genes that regulate cancer cell growth and proliferation. Dysregulation of the Hippo pathway due to overexpression of TEAD has been reported in a wide range of cancers. Inhibition of TEAD represses the expression of associated genes, demonstrating the value of this transcription factor for the development of novel anti-cancer therapies. We report herein the design, synthesis and biol. evaluation of LM98, a flufenamic acid analog. LM98 shows strong affinity to TEAD, inhibits its autopalmitoylation and reduces the YAP-TEAD transcriptional activity. Binding of LM98 to TEAD was supported by 19F-NMR studies while co-crystallization experiments confirmed that LM98 is anchored within the palmitic acid pocket of TEAD. LM98 reduces the expression of CTGF and Cyr61, inhibits MDA-MB-231 breast cancer cell migration and arrests cell cycling in the S phase during cell division.

ChemMedChem published new progress about Antitumor agents. 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, Synthetic Route of 6942-39-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary