Month: October 2022

Ferry, Angelique; Guinchard, Xavier; Retailleau, Pascal; Crich, David published the artcile< Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics>, Reference of 52244-70-9, the main research area is protecting group phosphonite borane disaccharide glycoside synthesis phostone phosphonylation; alkaloid glycoside disaccharide glycomimetic coupling phosphonite borane stereoselective synthesis.

Stereoselective syntheses of P-chiral ammonium phosphonite-borane complexes in the gluco- and manno-like series have been developed from P(V) phostone derivatives The coupling reactions of these phostone donors with alcs. have been investigated with particular emphasis on the influence of protecting groups and conditions on stereoselectivity. The phosphonite-borane complexes may be applied directly in the coupling reactions and the products oxidized in situ to give phostone-mimetics of disaccharides. On the basis of these studies, successful protocols were established for the synthesis of β-gluco and α- and β-manno-configured phostones of primary alcs, e.g. I . Deprotection of the dimeric compounds leads to novel families of α- or β-(1→6)-linked glycomimetics.

Journal of the American Chemical Society published new progress about Alkaloids Role: RCT (Reactant), RACT (Reactant or Reagent). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Reference of 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Cram, Donald J.; Tanner, Martin E.; Keipert, Steven J.; Knobler, Carolyn B. published the artcile< Host-guest complexation. 59. Two chiral [1.1.1]orthocyclophane units bridged by three biacetylene units providing a host to bind medium-sized organic guests>, Formula: C8H9BrO2, the main research area is orthocyclophane chiral preparation crystal structure; coordination dibenzotetraoxacyclodotetracontin chloroform cubane propylene oxide; crystal structure dibenzotetraoxacyclodotetracontin; host guest complexation orthocyclophane.

Title compounds I and II were prepared and complexed with CHCl3, cubane, CH2Cl, propylene oxide, Me3COH, and benzene. Thus, reaction of 4-bromo-3-methoxybenzyl alc. with P2O5-Et2O gave tribenzocyclononene III (R = Me, R1 = Br) which was methylated to give III (R1 = Me) (IV). IV was treated with BBr3 followed by HCCCH2Br to give III (R = CH2CCH, R1 = Me) (V). V reacted with Cu(OAc)2/O2 in pyridine to give I and II. The crystal structures of I and II were determined In (Cl3C)2CO as solvent the above mols. are bound by I with binding free energies that range from <4 to 5.7 kcal/mol. II failes to complex the above guests. Journal of the American Chemical Society published new progress about Coordination compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 17100-64-0 belongs to class ethers-buliding-blocks, and the molecular formula is C8H9BrO2, Formula: C8H9BrO2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Zhou, Yali; Xu, Xingjun; Sun, Hongwei; Tao, Guanyu; Chang, Xiao-Yong; Xing, Xiangyou; Chen, Bo; Xu, Chen published the artcile< Development of highly efficient platinum catalysts for hydroalkoxylation and hydroamination of unactivated alkenes>, Recommanded Product: 4-(4-Methoxyphenyl)-1-butanol, the main research area is platinum catalyst preparation; alkenyl alc platinum catalyst intramol hydroalkoxylation; alkene alc platinum catalyst intermol hydroalkoxylation; aminoalkene platinum catalyst intramol hydroamination; amine alkene platinum catalyst intramol hydroamination.

The design and discovery of “”donor-acceptor””-type platinum catalysts that were highly effective in both hydroalkoxylation and hydroamination of unactivated alkenes over a broad range of substrates under mild conditions were described. A number of alkene substitution patterns were accommodated, including tri-substituted, 1,1-disubstituted, (E)-disubstituted, (Z)-disubstituted and even mono-substituted double bonds. Detailed mechanistic investigations suggested a plausible pathway that included an unexpected dissociation/re-association of the electron-deficient ligand to form an alkene-bound “”donor-acceptor””-type intermediate. These mechanistic studies helped to understand the origins of the high reactivity exhibited by the catalytic system and provided a foundation for the rational design of chiral catalysts towards asym. hydrofunctionalization reactions.

Nature Communications published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Recommanded Product: 4-(4-Methoxyphenyl)-1-butanol.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Rodrigues, Fabio M. S.; Kucmierczyk, Peter K.; Pineiro, Marta; Jackstell, Ralf; Franke, Robert; Pereira, Mariette M.; Beller, Matthias published the artcile< Dual Rh-Ru Catalysts for Reductive Hydroformylation of Olefins to Alcohols>, SDS of cas: 52244-70-9, the main research area is alc preparation regioselective chemoselective; olefin reductive hydroformylation rhodium ruthenium catalyst; alcohols; homogeneous catalysis; rhodium; ruthenium; tandem reactions.

An active and selective dual catalytic system to promote domino hydroformylation-reduction reactions is described. Apart from terminal, di- and trisubstituted olefins, for the first time the less active internal C-C double bond of tetrasubstituted alkenes can also be utilized. As an example, 2,3-dimethylbut-2-ene is converted into the corresponding n-alc. with high yield (90 %) as well as regio- and chemoselectivity (>97 %). Key for this development is the use of a combination of Rh complexes with bulky monophosphite ligands and the Ru-based Shvo’s complex. A variety of aromatic and aliphatic alkenes can be directly used to obtain mainly linear alcs.

ChemSusChem published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, SDS of cas: 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Zhu, You-Quan; Hui, Li-Wen; Niu, Yun-Xia; Lv, Lin-Ge; Zhu, Kun published the artcile< Reaction of Cycloalkene-1-carboxamides with Aryl Boronates via Rhodium(III)-Catalyzed C-H Activation: A Versatile Route to 3,4-Cycloalkaquinolin-2(1H)-ones>, Quality Control of 190788-60-4, the main research area is cycloalkaquinolinone preparation; methoxycycloalkene carboxamide arylboronic acid pinacol ester heterocyclization rhodium catalyst.

Under rhodium(III) catalysis, substituted N-methoxycycloalkene-1-carboxamides I [X = CH2, O; Z = a bond, CH2; Y = CH2, N-C(O)OC(CH3)3; R1 = H, prop-1-en-2-yl] successfully reacted with aryl boronic acid pinacol esters II (R2 = 3-F, 4-C6H5O, 4-H3CO, etc.) to provide 3,4-cycloalkaquinolin-2(1H)-ones III (R3 = 9-F, 8-C6H5O, 8-H3CO, etc.) via direct functionalization of the β-alkenyl C-H bond and form C-C/C-N bond in one pot. The gram-scale synthesis of the title compound III (X = CH2; n = 1; Y = CH2; R1 = H; R3 = H) demonstrated the great synthetic utility of this methodol.

Advanced Synthesis & Catalysis published new progress about Amides Role: RCT (Reactant), RACT (Reactant or Reagent) (cycloalkene). 190788-60-4 belongs to class ethers-buliding-blocks, and the molecular formula is C13H19BO3, Quality Control of 190788-60-4.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Wu, Xu-Nian; Zhou, Qian; Huang, Ya-Dan; Xie, Xi; Li, Zhe; Wu, Yinuo; Luo, Hai-Bin published the artcile< Structure-based discovery of orally efficient inhibitors via unique interactions with H-pocket of PDE8 for the treatment of vascular dementia>, Application of C3H7BrO, the main research area is phosphodiesterase inhibitor vascular dementia mol modeling; Binding potencies; Free energy prediction; MM-GB/SA; Phosphodiesterase 8 (PDE8); Structure-based drug design; Structure–activity relationship; Vascular dementia.

Our previous study demonstrated that phosphodiesterase 8 (PDE8) could work as a potential target for vascular dementia (VaD) using a chem. probe 3a. However, compound 3a is a chiral compound which was obtained by chiral resolution on HPLC, restricting its usage in clinic. Herein, a series of non-chiral 9-benzyl-2-chloro-adenine derivatives were discovered as novel PDE8 inhibitors. Lead 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine exhibited potent inhibitory activity against PDE8A (IC50 = 11 nmol/L), high selectivity over other PDEs, and remarkable drug-like properties (worthy to mention is that its bioavailability was up to 100%). Oral administration of 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine significantly improved the cAMP level of the right brain and exhibited dose-dependent effects on cognitive improvement in a VaD mouse model. Notably, the X-ray crystal structure of the PDE8A-2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine complex showed that the potent affinity and high selectivity of 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine might come from the distinctive interactions with H-pocket including T-shaped π-π interactions with Phe785 as well as a unique H-bond network, which have never been observed in other PDE-inhibitor complex before, providing new strategies for the further rational design of novel selective inhibitors against PDE8.

Acta Pharmaceutica Sinica B published new progress about Brain. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Application of C3H7BrO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Liu, Jin; Qi, Xiaochen; Li, Li; Chang, Ning; Wei, Jie; Fang, Dawei; Zhang, Zhiheng published the artcile< Physical Properties and Its Estimation of Binary Mixtures of Ether-Functionalized Ionic Liquids [C22O1IM][NTF2] with Alcohols>, SDS of cas: 6482-24-2, the main research area is ethylmethoxyethylimidazolium trifluoromethylsulfonylimide ionic liquid mixture alc density viscosity; activation free energy viscous flow ethylmethoxyethylimidazolium trifluoromethylsulfonylimide mixture alc; volumetric property ethylmethoxyethylimidazolium trifluoromethylsulfonylimide ionic liquid mixture alc thermodn.

The binary mixtures composed of 1-ethyl-3-(2-methoxyethyl)-imidazolium bis(trifluoromethylsulfonyl)imide [C22O1IM][NTF2] and alcs. were prepared, and the d. and viscosity were measured first across the entire range of mole fraction within a particular temperature range. Based on the exptl. values of d., the average molar volume, the excess molar volume, and the partial molar volume were calculated, and the excess molar volume was well fitted by Redlich-Kister equation. The excess activation Gibbs energy of viscous flow is obtained by introducing relative volume of mixtures, Vr, combined with the relative viscosity ηr.

Journal of Chemical & Engineering Data published new progress about Binary mixtures, liquid. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, SDS of cas: 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Sharma, Swagat; Peng, Qi; Vadukoot, Anish K.; Aretz, Christopher D.; Jensen, Aaron A.; Wallick, Alexander I.; Dong, Xinzhong; Hopkins, Corey R. published the artcile< Synthesis and Biological Characterization of a Series of 2-Sulfonamidebenzamides as Allosteric Modulators of MrgX1>, SDS of cas: 10541-78-3, the main research area is sulfonamidebenzamide preparation allosteric modulator protein coupled receptor.

The present study describes the continued efforts in the discovery and characterization of a series of 2-sulfonamidebenzamides e.g., 3-(Cyclopropanesulfonamido)-N-(2-ethoxyphenyl)-2-naphthamide as allosteric modulators of MrgX1. MrgX1 has been shown to be an attractive target as a nonopioid receptor for the potential treatment of chronic pain. Working from the original compound, ML382, and utilizing iterative medicinal chem., key halogen substituents that improve MrgX1 potency by ~8-fold were identified. In addition, the compounds in Tier 1 drug metabolism and pharmacokinetics assays were evaluated and the key compounds that impart improved potency and microsomal stability were identified.

ACS Medicinal Chemistry Letters published new progress about Allosteric modulators. 10541-78-3 belongs to class ethers-buliding-blocks, and the molecular formula is C8H11NO, SDS of cas: 10541-78-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Lu, Jiayu; Wang, Xiangjun; Ge, Shuai; Hou, Yajing; Lv, Yuexin; He, Huaizhen; Wang, Cheng published the artcile< Synthesis and evaluation of new potential anti-pseudo-allergic agents>, Recommanded Product: 4-(4-Methoxyphenyl)-1-butanol, the main research area is anti pseudo allergy mubritinib MRGPRX2 receptor; B10-S; MRGPRX2; Mast cells; Mubritinib; Pseudo-allergy.

Pseudo-allergic reactions frequently occur following clin. drug use and sometimes even cause mortal danger. Mas-related G-protein-coupled receptor member X2 (MRGPRX2) is a novel receptor that mediates pseudo-allergy and is an important target in the treatment of allergies. However, to date, there are no synthetic small-mol. inhibitors that prevent anaphylactoid reactions through this pathway. Our preliminary research suggested that B10-S and mubritinib effectively inhibited LAD2 cells. Therefore, two novel derivatives were synthesized by integrating the active substructures of B10-S and mubritinib, according to the mol. docking results. The antiallergic inhibitory effects of the two compounds were preliminarily evaluated in vitro using β-hexosaminidase release, histamine release, and intracellular Ca2+ mobilization assays, and their binding sites on MRGPRX2 were analyzed by mol. docking. Both substances inhibited β-hexosaminidase and histamine release in LAD2 cells and decreased intracellular Ca2+ by inhibiting MRGPRX2 in MRGPRX2-HEK293 cells treated with C48/80 in a dose-dependent manner. The docking results suggested that the mols. could competitively bind to the active site on MRGPRX2 and Glu141, which were combined by C48/80. Our study indicated that the two compounds have potential anti-allergic properties, which may provide evidence that will facilitate the development of synthetic mols. with anti-pseudo-allergic activity for clin. use in the future.

Bioorganic & Medicinal Chemistry Letters published new progress about Allergy. 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Recommanded Product: 4-(4-Methoxyphenyl)-1-butanol.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Nahan, Keaton; Sussman, Eric M.; Oktem, Berk; Schultheis, Lester; Wickramasekara, Samanthi published the artcile< Screening for extractables in additive-manufactured acrylonitrile butadiene styrene orthopedic cast>, Related Products of 18312-57-7, the main research area is acrylonitrile butadiene styrene orthopedic cast extractable safety; 3D printing; Acrylonitrile butadiene styrene (ABS); Additive manufacturing; Chemical characterization; Extractables; Medical devices.

The use of additive-manufactured components in medical applications, specifically medical devices (e.g., orthopedic casts), has increased in recent years. Such devices may be fabricated at the point of care using consumer-grade additive manufacturing Limited studies have been conducted to evaluate the extractable substances of these devices. Chem. characterization followed by toxicol. risk assessment is one means of evaluating safety of devices. This study was designed to determine the extractables profile of additive-manufactured materials according to filament grade and post-processing method. Feedstocks for additive manufacturing were tested as filament and manufactured casts, while the cast from consumer-grade filament (CGF) was post-processed. Samples were extracted using three solvents of varying polarities. Extracts were analyzed by gas chromatog./mass spectrometry (GC/MS) and liquid chromatog./mass spectrometry (LC/MS) techniques. In GC/MS anal., isopropanol extracts generated fewer compound identifications for USP Class VI filament (USPF)-based casts (3) compared with the resp. filament (17) while hexane generated the most compound identifications for the finished cast manufactured from CGF. CGF was found to have the highest number of nonvolatile extractables for isopropanol (15) and hexane (34) by pos. ion LC/MS. Addnl., CGF produced more non-polar extractables in hexane than the USPF. A known polymer byproduct and potential genotoxicant, styrene acrylonitrile (SAN) trimer, was one of the compounds identified in both GC/MS and LC/MS at quantities ranging from 19 to 270μg g-1. Overall these results suggested that the extractables profile was affected by the filament material, printing procedure, and post-processing method.

Talanta published new progress about Additive manufacturing. 18312-57-7 belongs to class ethers-buliding-blocks, and the molecular formula is C17H37NO2, Related Products of 18312-57-7.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem