Author: Jessica.F

Jin, Jia; Ye, Xiaoqing; Boateng, Derrick; Dai, Kaili; Ye, Fei; Du, Pengfei; Yu, Han published the artcile< Identification and characterization of potent and selective inhibitors targeting protein tyrosine phosphatase 1B (PTP1B)>, Safety of 3-(4-Bromophenyl)acrylaldehyde, the main research area is PTP1B type 2 diabetes protein tyrosine phosphatase 1B; Dihydropyridine thione; PTP1B; Selective inhibitors; TCPTP; Type 2 diabetes.

Protein tyrosine phosphatase 1B (PTP1B) plays an important role in the neg. regulation of insulin and leptin signaling. The development of small mol. inhibitors targeting PTP1B has been validated as a potential therapeutic strategy for Type 2 diabetes (T2D). In this work, we have identified a series of compounds containing dihydropyridine thione and particular chiral structure as novel PTP1B inhibitors. Among those, compound 4b(I, CAS 2071719-61-2) showed moderate activity with IC50 value of 3.33 μM and meanwhile with good selectivity (>30-fold) against TCPTP. The further MOA study of PTP1B demonstrated that I is a substrate-competitive inhibitor. The binding mode anal. suggested that I simultaneously occupies the active site and the second phosphotyrosine (pTyr) binding site of PTP1B. Furthermore, the cell viability assay of I showed tolerable cytotoxicity in L02 cells, thus I may be prospectively used to further in vivo study.

Bioorganic & Medicinal Chemistry Letters published new progress about Enzyme kinetics. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Safety of 3-(4-Bromophenyl)acrylaldehyde.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Johnson, Kristen N.; Hurlock, Matthew J.; Zhang, Qiang; Hipps, K. W.; Mazur, Ursula published the artcile< Balancing Noncovalent Interactions in the Self-Assembly of Nonplanar Aromatic Carboxylic Acid MOF Linkers at the Solution/Solid Interface: HOPG vs. Au(111)>, COA of Formula: C26H18Br2, the main research area is tetraphenylethene tetracarboxylic acid self assembly MOF solution solid interface.

This study explores directed noncovalent bonding in the self-assembly of nonplanar aromatic carboxylic acids on Au and graphite surfaces. It is the 1st step in developing a new design strategy to create 2-dimensional surface metal-organic frameworks (SURFMOFs). The acid mols. used are tetraphenylethene-based and are typically employed in the synthesis of 3-dimensional (3D) MOF crystalline solids. They include tetraphenylethene tetracarboxylic acid, tetraphenylethene bisphenyl carboxylic acid, and tetraphenylethene tetrakis-Ph carboxylic acid. The 2-dimensional structures formed from these mols. on highly ordered pyrolytic graphite (HOPG) and Au(111) are studied by scanning tunneling microscopy in a solution environment. The process of monolayer formation and final surface linker structures are strongly dependent on the combination of the mol. and substrate used and are discussed in terms of intermol. and mol.-substrate interactions, bonding geometry, and symmetry of the acid mols. In the case of linker self-assembly on HOPG, the mol.-substrate interactions play a significant role in the resulting surface structure. When the acid mols. are adsorbed on Au(111), the intermol. interactions tend to dominate over the weaker mol.-substrate bonding. Addnl., the interplay of π-π interactions and hydrogen bonding that directs the surface self-assembly on different supports can be modified by varying the linker concentration This is particularly applicable for the case of the acid mols. adsorbing on the Au(111) substrate. Precise control over predesigned surface structures and orientation of the nonplanar aromatic carboxylic linkers open up an exciting prospect for manipulating the direction of SURFMOF growth in 2 dimensions and potentially in 3D.

Langmuir published new progress about Aromatic carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, COA of Formula: C26H18Br2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhou, Chunlin; Wang, Xinchao; Yang, Lei; Fu, Lei; Li, Gang published the artcile< Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with organic halides and CO2>, HPLC of Formula: 401-78-5, the main research area is diene halide carbon dioxide iridium catalyst regioselective carbocarboxylation; alkenyl carboxylate preparation.

An unprecedented visible-light-driven regioselective carbocarboxylation of 1,3-dienes with CO2 using aryl and alkyl halides under mild conditions with low-cost potassium formate (HCOOK) to produce carbon dioxide radical anions as the potent reducing agent for the challenging organic halide reduction was reported. Highly 3,4-regioselective carbocarboxylation was achieved with 1,1-diaryl-substituted 1,3-dienes, while major 1,4-carbocarboxylation products were obtained with less hindered mono-aryl substituted 1,3-dienes. This protocol rendered a rapid method for producing complex β,γ-unsaturated carboxylic acids from easily available 1,3-dienes and organic halides with CO2.

Green Chemistry published new progress about 1,3-Alkadienes Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, HPLC of Formula: 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yamamoto, Satoshi; Hashiguchi, Shohei; Miki, Shokyo; Igata, Yumiko; Watanabe, Toshifumi; Shiraishi, Mitsuru published the artcile< Synthesis and biological activity of novel 1,3-benzoxazine derivatives as K+ channel openers>, Synthetic Route of 81107-97-3, the main research area is benzoxazine preparation potassium channel opener.

A new series of 1,3-benzoxazine derivatives with a 2-pyridine 1-oxide group at C-4, I (R1 = Cl, Br, CF3, NO2, CCH, etc.; R2 = H, Cl, F, Br, OEt, Me), was designed to explore novel K+ channel openers. Synthesis was carried out by using a palladium(0)-catalyzed carbon-carbon bond formation reaction of imino-triflates II with organozinc reagents and via a new one-pot 1,3-benzoxazine skeleton formation reaction of benzoylpyridines. The compounds were tested for vasorelaxant activity in tetraethylammonium, chloride (TEA) and BaCl2-induced and high KCl-induced contraction of rat aorta to identify potential K+ channel openers, and also for oral hypotensive effects in spontaneously hypertensive rats. An electron-withdrawing group with the proper shape at C6 and a Me or halo group at C7 of the 1,3-benzoxazine nucleus were required for the development of optimal vasorelaxant and hypotensive activity. In particular, 2-(6-bromo-7-chloro-2,2-dimethyl-2H-1,3-benzoxazin-4-yl)pyridine 1-oxide showed more potent vasorelaxant activity (EC50 = 0.14 μm) against TEA and BaCl2-induced contraction and longer hypotensive effects than cromakalim.

Chemical & Pharmaceutical Bulletin published new progress about Potassium channel openers. 81107-97-3 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3O, Synthetic Route of 81107-97-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xue, Gaijun; Xie, Fukai; Liang, Hongliang; Chen, Guoliang; Dai, Wen published the artcile< Copper-Catalyzed Oxidative C-C Bond Cleavage of Alkyl-(Hetero)arenes Enabling Direct Access to Nitriles>, SDS of cas: 2725-82-8, the main research area is aryl nitrile preparation copper catalyst; alkyl hetero arene oxidative carbon bond cleavage cyanation.

The cleavage and functionalization of C-C bonds has emerged as a powerful tool for discovery of new transformations. Herein, authors report a protocol that enables direct synthesis of nitriles via copper-catalyzed oxidative cleavage and cyanation of C-C bonds in a wide variety of multicarbon alkyl-substituted (hetero)arenes. Detailed mechanistic studies reveal that a tandem oxidative process is involved in this transformation.

Organic Letters published new progress about Aromatic compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, SDS of cas: 2725-82-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jiang, Peng-Ying; Fan, Kai-Fang; Li, Shaoyu; Xiang, Shao-Hua; Tan, Bin published the artcile< Metal-free oxidative cross-coupling enabled practical synthesis of atropisomeric QUINOL and its derivatives>, Application In Synthesis of 3893-18-3, the main research area is atropisomeric QUINOL chemoselective preparation; isoquinoline naphthol oxidative cross coupling metal free; QUINOL oxide enantioselective preparation; racemic QUINOL oxide kinetic resolution NHC catalyst.

A direct oxidative cross-coupling reaction between isoquinolines and 2-naphthols, providing a straightforward and scalable route to acquire privileged QUINOL scaffolds I [R1 = H, 7-Me, 6-Ph, etc.; R2 = H, 3-Me, 5-Br, etc.] in a metal-free manner was reported. Moreover, a NHC-catalyzed kinetic resolution of QUINOL N-oxides with high selectivity factor was established to access two types of promising axially chiral Lewis base catalysts in optically pure forms. The utility of this methodol. was further illustrated by facile transformations of products into QUINAP, an iconic ligand in asym. catalysis.

Nature Communications published new progress about Atom economy. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Application In Synthesis of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Xia; Lyu, Shaoshuai; Lang, Xianjun published the artcile< Superoxide generated by blue light photocatalysis of g-C3N4/TiO2 for selective conversion of amines>, Reference of 3959-07-7, the main research area is graphitic carbon nitride titanium dioxide amine superoxide photocatalysis; Amines; Photocatalysis; Selective aerobic oxidation; Superoxide; Visible light.

Reactive oxygen species (ROS) are remarkably reactive chem. oxygen-containing mols. that not only occupy critical positions in cell signaling and homeostasis for regulating aerobic living organism’s growth and development but also broadly participate in the environmental management as extraordinary oxidizing agents. Inspired by the behaviors of ROS, we designed an artful visible light photocatalytic system for the selective conversion of amines due to the activation of oxygen (O2) to superoxide (O2·-) over g-C3N4/TiO2. Here, blue light was manipulated as a light source to circumvent the initiation of the strong nonselective hydroxyl radical (·OH) that is often generated by valence band holes (hvb+) of TiO2. Aerial O2 was employed to achieve the long-lived, exclusive ROS, O2·-, while acetonitrile, an aprotic solvent, was utilized to prolong the lifetime of O2·-. Importantly, the g-C3N4/TiO2 possesses an exceptional capability for the generation of O2·-. Based on the synergistic effect of two ingredients of the g-C3N4/TiO2 photocatalyst, the highly selective conversion of amines was achieved with superior conversions in comparison with the pristine TiO2 and g-C3N4. Furthermore, a mechanism dominated by O·- was proposed according to the kinetic studies, ESR (EPR), and ROS quenching experiments This work highlights the importance of ROS in defining the desirable outcomes over semiconductor photocatalysts.

Environmental Research published new progress about Adsorption (isotherm). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ema, Tadashi; Tanida, Daisuke; Matsukawa, Tatsuya; Sakai, Takashi published the artcile< Biomimetic trifunctional organocatalyst showing a great acceleration for the transesterification between vinyl ester and alcohol>, Category: bromides-buliding-blocks, the main research area is biomimetic trifunctional organocatalyst transesterification vinyl ester alc.

Trifunctional organocatalysts (I) 1a (X = S) and 1b (X = O) mimicking the active site of serine hydrolases showed high catalytic activity with up to a 3700000-fold acceleration for the acyl-transfer reactions from vinyl trifluoroacetate to alc.

Chemical Communications (Cambridge, United Kingdom) published new progress about Enzyme mimics Role: CAT (Catalyst Use), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 1013031-65-6 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6Br2O, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G. published the artcile< Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine>, Synthetic Route of 576-83-0, the main research area is bromine carbazole phosphorescent material crystal packing.

Room-temperature phosphorescent (RTP) materials with long luminescence lifetimes have stimulated considerable interest. However, pure organic mols. with persistent room-temperature phosphorescence are still rarely reported. In this work, we study two mols., DCzMPh and TCzMPh, in which persistent room-temperature phosphorescence in the amorphous state is achieved via the heavy-atom effect of bromine atoms in their structure. Their final quantum yields are found to be as high as 90 and 93%, resp., at the phosphorescence lifetimes of 0.27 and 0.28 s, resp. Moreover, both mols. are shown to be appropriate for security protection applications.

New Journal of Chemistry published new progress about Crystal packing (particle). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Synthetic Route of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei published the artcile< Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers>, Category: bromides-buliding-blocks, the main research area is ketone preparation regioselective; arylmethyl aryl acetoxime ether aromatic aldehyde aroylation palladium catalyst.

An efficient palladium-catalyzed ortho-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers has been developed; this method has high mono-site selectivity and does not require exogenous ligands. Under the direction of a simple exo-acetoxime auxiliary, a broad scope of masked arylmethyl alcs. and phenols as well as various aromatic aldehydes are compatible with this transformation, which probably follows a mechanistic pathway involving a six- or five-membered exo-cyclopalladated intermediate. The strategy can be expediently adopted to prepare synthetically valuable 1H-benzo[d][1,2]oxazines and benzo[d]isoxazoles. The directing group can be easily removed from the products to afford the functionalized diaryl ketones.

Organic & Biomolecular Chemistry published new progress about Aroylation (regioselective). 188813-04-9 belongs to class bromides-buliding-blocks, and the molecular formula is C8H7BrO, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary