Tag: M.W=150-200

McKew, John C.; Foley, Megan A.; Thakker, Paresh; Behnke, Mark L.; Lovering, Frank E.; Sum, Fuk-Wah; Tam, Steve; Wu, Kun; Shen, Marina W. H.; Zhang, Wen; Gonzalez, Mario; Liu, Shanghao; Mahadevan, Anu; Sard, Howard; Khor, Soo Peang; Clark, James D. published the artcile< Inhibition of Cytosolic Phospholipase A2α: Hit to Lead Optimization>, Category: chlorides-buliding-blocks, the main research area is indole derivative preparation structure phospholipase A2 inhibitor.

Compound (I) was previously reported to be a potent inhibitor of cPLA2α in both artificial monomeric substrate and cell-based assays. However, I was inactive in whole blood assays previously used to characterize cyclooxygenase and lipoxygenase inhibitors. The IC50 of I increased dramatically with cell number or lipid/detergent concentration In an attempt to insert an electrophilic ketone between the indole and benzoic acid moieties, the authors discovered that increasing the distance between the two moieties gave a compound with activity in the GLU (7-hydroxycoumarinyl-γ-linolenate) micelle assay, which contains lipid and detergent. Extensive structure-activity relationship work around this lead identified a potent pharmacophore for cPLA2α inhibition. The IC50s between the GLU micelle and rat whole blood assays correlated highly. No correlation was found for other parameters, including lipophilicity or acidity of the required acid functionality. Three compounds emerged as potent, selective inhibitors of cPLA2α and represent well-validated starting points for further optimization.

Journal of Medicinal Chemistry published new progress about Pharmacophores. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Banovetz, Haley K.; Vickerman, Kevin L.; David, Colton M.; Alkan, Melisa; Stanley, Levi M. published the artcile< Palladium-Catalyzed Intermolecular Alkene Carboacylation via Ester C-O Bond Activation>, SDS of cas: 17082-09-6, the main research area is functionalized ketone diastereoselective preparation; ester preparation bicyclic alkene tetraarylborate carboacylation palladium catalyst.

Palladium-catalyzed intermol. carboacylation of alkenes with ester electrophiles and tetraarylborate nucleophiles was reported. Bicyclic alkenes reacted with a variety of pentafluorophenyl benzoate and alkanoate esters and sodium tetraarylborates to form functionalized ketone products, e.g., I in ≤99% yields. These reactions occurred in the absence of a directing group and demonstrate esters were competent acyl electrophiles for intermol. alkene carboacylation reactions.

Organic Letters published new progress about Acid chlorides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, SDS of cas: 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Raja, G.; Venkatesh, G.; Al-Otaibi, Jamelah S.; Vennila, P.; Mary, Y. Sheena; Sixto-Lopez, Y. published the artcile< Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents>, HPLC of Formula: 17082-09-6, the main research area is cinnamoyl benzamide preparation antiovarian cancer mol docking dynamic simulation.

A novel (E)-N-cinnamoyl-4-methoxybenzamide (CMB) and (E)-3-chloro-N-cinnamoyl-4-methoxybenzamide (CCMB) were synthesized and characterized by using Fourier-transform IR spectroscopy (FT-IR), NMR (NMR) and UV-visible spectroscopy. Theor. vibrational spectra, NMR and some electronic properties of CMB and CCMB have been calculated using D. Functional Theory (DFT), B3LYP functional with a 6-311G++ basis set. UV-Vis spectra obtained by Time-dependent-DFT/ polarizable continuum model (PCM) methods were also compared to exptl. reported spectra. In addition, the mol. electrostatic potential (MEP) and frontier MOs (FMOs) were calculated and discussed for the title compounds The present study examined the use of two mols. as matrix metalloproteinases (MMPs) inhibitors for the treatment of ovarian cancer. Mol. docking results show that both CCMB and CMB bind to MMP-2 with higher affinity (-8.50 and -8.35 kcal/mol) than MMP-1 (-8.24 and -8.07 kcal/mol). According to MD simulations, values of the solvent accessible surface area changed very little from the title mols. During the MD simulation, the number of H-bonds formed between CMB and CCMB towards targets was also determined

Journal of Molecular Structure published new progress about Antitumor agents. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, HPLC of Formula: 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Rajabi, Mahboobeh; Albadi, Jalal; Momeni, Ahmadreza published the artcile< Click synthesis of 1,4-disubstituted-1,2,3-triazoles catalyzed by melamine-supported CuO nanoparticles as an efficient recyclable catalyst in water>, Electric Literature of 611-19-8, the main research area is triazole preparation regioselective; benzyl chloride alkylchloride ethynylbenzene click reaction copper nanocatalyst.

Melamine-supported CuO nanoparticles (M-CuO nanocatalyst) are prepared as a new and efficient recyclable nanocatalyst for the regioselective synthesis of 1,2,3-triazoles I (R = Me, Ph, 4-methylphenyl, etc.; R1 = H, OMe) in water. This new nanocatalyst was prepared by co-precipitation method and characterized by FT-IR spectral study, TGA, DSC, XRF, ICP-OES, XRD, SEM, EDS and BET anal. A wide range of 1,4-disubstituted-1,2,3-triazoles I was synthesized from reaction of benzyl halides or alkyl halides RCH2Cl with Ph acetylene and sodium azide in high yields. M-CuO nanocatalyst could be reused more than 6 times without considerable loss of its initial activity.

Research on Chemical Intermediates published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Electric Literature of 611-19-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Peng, Han-Ying; Dong, Zhi-Bing published the artcile< Transition-Metal-Free C(sp3)-S Coupling in Water: Synthesis of Benzyl Dithiocarbamates Using Thiuram Disulfides as an Organosulfur Source>, COA of Formula: C7H6Cl2, the main research area is dithiocarbamate benzyl green synthesis; benzyl halide nucleophilic substitution tetraalkylthiuram disulfide water.

A simple, highly efficient and environmentally benign method for the synthesis of benzyl dithiocarbamates was reported. Without addition of metal catalyst, a series of 34 benzyl dithiocarbamates were obtained in good to excellent yields by treating benzyl halides with tetraalkylthiuram disulfides in water. The protocol allows easy access to C(sp3)-S bond formation, features the advantages of easy performance, environmental friendliness, good to excellent yields, and good functional tolerance, showing potential value for the preparation of some biol. active compounds

European Journal of Organic Chemistry published new progress about Benzyl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wang, Cui-Tian; Li, Ming; Ding, Ya-Nan; Wei, Wan-Xu; Zhang, Zhe; Gou, Xue-Ya; Jiao, Rui-Qiang; Wen, Ya-Ting; Liang, Yong-Min published the artcile< Alkylation-Terminated Catellani Reactions by Cyclobutanol C-C Cleavage>, Quality Control of 611-19-8, the main research area is aromatic hydrocarbon preparation; cyclobutanol aryl iodide benzoyloxyamine Catellani reaction; alkyl iodide aryl cyclobutanol Catellani reaction; iodide aryl bromide cyclobutanol Catellani reaction; benzyl chloride aryl iodide cyclobutanol Catellani reaction.

This report describes the first application of a cyclobutanol ring-opening procedure in the Catellani termination reaction, which includes two β-carbon elimination processes. This tandem reaction features mild conditions, high yields, good functional group tolerance, and a broad substrate scope. Meanwhile, four types of electrophiles (N-benzoyloxyamines, e.g., 4-benzoyloxymorpholine, alkyl iodides RR1CHI [R = CH3, (CH2)3CH3, (CH2)4CH3, (CH2)4C(O)2CH3, (CH2)7CH3; R1 = H, CH3], aryl bromides R2C6H4Br [R2 = 2-C(O)2Me, 4-CF3, 4-C(O)2Me], and benzyl chlorides R3C6H4CH2Cl = H, 2-Me, 2-Cl, 3-Me, 4-F, 4-OMe) are quite compatible with this termination reaction for the construction of various types of polysubstituted aromatic hydrocarbons, e.g., I.

Organic Letters published new progress about Aralkyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Quality Control of 611-19-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gonzalez-Marino, Iria; Quintana, Jose Benito; Rodriguez, Isaac; Cela, Rafael published the artcile< Evaluation of the occurrence and biodegradation of parabens and halogenated by-products in wastewater by accurate-mass liquid chromatography-quadrupole-time-of-flight-mass spectrometry (LC-QTOF-MS)>, Application In Synthesis of 3964-57-6, the main research area is LCMS evaluation paraben wastewater halogenated compound biodegradation.

An assessment of the sewage occurrence and biodegradability of 7 parabens and 3 halogenated derivatives of Me paraben (MeP) is presented. Several wastewater samples were collected at 3 different wastewater treatment plants (WWTPs) during Apr. and May 2010, concentrated by solid-phase extraction (SPE) and analyzed by liquid chromatog.-electrospray-quadrupole-time-of-flight mass spectrometry (LC-QTOF-MS). The performance of the QTOF system proved to be comparable to triple-quadrupole instruments in terms of quant. capabilities, with good linearity (R2 > 0.99 in the 5-500 ng mL-1 range), repeatability (relative standard deviation < 5.6%) and LODs (0.3-4.0 ng L-1 after SPE). MeP and Pr paraben (PrP) were the most frequently detected and the most abundant analytes in raw wastewater (0.3-10 μg L-1), in accordance with the data displayed in the bibliog. and reflecting their wider use in cosmetic formulations. Samples were also evaluated in search for potential halogenated byproducts of parabens, formed as a result of their reaction with residual Cl contained in tap H2O. Monochloro- and dichloro-Me paraben (ClMeP and Cl2MeP) were found and quantified in raw wastewater at levels between 0.01 and 0.1 μg L-1. Halogenated derivatives of PrP could not be quantified due to the lack of standards; nevertheless, the monochlorinated species (ClPrP) was identified in several samples from its accurate precursor and product ions mass/charge ratios (m/z). Removal efficiencies of parabens and MeP chlorinated byproducts in WWTPs exceeded 90%, with the lowest percentages corresponding to the latter species. This trend was confirmed by an activated sludge biodegradation batch test, where nonhalogenated parabens had half-lives < 4 days, whereas halogenated derivatives of MeP turned out to be more persistent, with up to 10 days of half-life in the case of dihalogenated derivatives A further stability test performed with raw wastewater also showed that parabens degrade rapidly in real sewage, with half-lives < 10 h for n-butyl-paraben, while dihalogenated species again turned out to be more stable, with half-lives longer than a week. Water Research published new progress about Biodegradation kinetics. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Application In Synthesis of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zweig, Arnold; Epstein, Martin published the artcile< 3-Chlorophthalic anhydride through chlorination of phthalic anhydride>, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione, the main research area is chlorophthalic anhydride; phthalic anhydride chlorination.

Monochlorination of molten phthalic anhydride in the presence of FeCl3 proceeds with only a small preference (55:45) for 4-chlorophthalic anhydride over 3-chlorophthalic anhydride. Under the same conditions both monochlorophthalic anhydrides are chlorinated at rates comparable to that of phthalic anhydride itself. When 1 mol of Cl is taken up by 1 mol of phthalic anhydride, a mixture of starting material and mono- and dichlorophthalic anhydrides is obtained together with traces of the more highly chlorinated phthalic anhydrides. Distillative separation of 3-chlorophthalic anhydride from the lower boiling 4-chlorophthalic anhydride can be readily achieved on a moderately efficient column. Convenient preparation of pure 3-chlorophthalic anhydride through distillation of chlorinated phthalic anhydride mixtures is impeded by the nearly identical b.ps. of 3-chlorophthalic anhydride and 4,5-dichlorophthalic anhydride. The latter is formed to the extent of 1/6 of the dichlorophthalic anhydride fraction of the chlorinated mixtures

Journal of Organic Chemistry published new progress about Chlorination. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Recommanded Product: 5-Chloroisobenzofuran-1,3-dione.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Daqiang; Zhang, Xiaotuan; Ma, Xiaodong; Xu, Lei; Yu, Jianjun; Gao, Lixin; Hu, Xiaobei; Zhang, Jiankang; Dong, Xiaowu; Li, Jia; Liu, Tao; Zhou, Yubo; Hu, Yongzhou published the artcile< Development of macrocyclic peptides containing epoxyketone with oral availability as proteasome inhibitors>, Electric Literature of 22717-55-1, the main research area is macrocyclic peptide synthesis methylpyrazole imidazole pyrazole oral availability; pharmacokinetic structure activity 20S proteasome inhibition; amino acid coupling iodination alkenylation substitution reaction Stille coupling; peptide ring closing metathesis mol docking human 20S proteasome.

Macrocyclization has been frequently utilized for optimizing peptide or peptidomimetic-based compounds In an attempt to obtain potent, metabolically stable, and orally available proteasome inhibitors, 30 oprozomib-derived macrocyclic peptides with structural diversity in their N-terminus and linker were successively designed and synthesized for structure-activity relationship (SAR) studies. As a consequence, the macrocyclic peptides with N-methyl-pyrazole, imidazole, and pyrazole as their resp. N-termini exhibited favorable in vitro activity and metabolic stability, which translated into their potent in vivo proteasome inhibitory activity after oral administration. In particular, pyrazole-containing compound (I), as the most distinguished one among this series, displayed excellent chymotrypsin-like (ChT-L, β5) inhibitory potency (IC50 = 16 nM), low nanomolar antiproliferative activity against all three of the tested cell lines, and superior metabolic stability in mouse liver microsome (MLM), as well as favorable inhibition against ChT-L compared to that of oprozomib in BABL/c mice following administration at a comparatively low dose, thereby representing a promising candidate for further development.

Journal of Medicinal Chemistry published new progress about Alkenylation. 22717-55-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Electric Literature of 22717-55-1.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Daub, Mary Elisabeth; Jung, Hoimin; Lee, Byung Joo; Won, Joonghee; Baik, Mu-Hyun; Yoon, Tehshik P. published the artcile< Enantioselective [2+2] Cycloadditions of Cinnamate Esters: Generalizing Lewis Acid Catalysis of Triplet Energy Transfer>, Quality Control of 17082-09-6, the main research area is cinnamate ester enantioselective cycloaddition photocatalyst Lewis acid cocatalyst.

We report the enantioselective [2+2] cycloaddition of simple cinnamate esters, the products of which are useful synthons for the controlled assembly of cyclobutane natural products. This method utilizes a cocatalytic system in which a chiral Lewis acid accelerates the transfer of triplet energy from an excited-state Ir(III) photocatalyst to the cinnamate ester. Computational evidence indicates that the principal role of the Lewis acid cocatalyst is to lower the absolute energies of the substrate frontier MOs, leading to greater electronic coupling between the sensitizer and substrate and increasing the rate of the energy transfer event. These results suggest Lewis acids can have multiple beneficial effects on triplet sensitization reactions, impacting both the thermodn. driving force and kinetics of Dexter energy transfer.

Journal of the American Chemical Society published new progress about [2+2] Cycloaddition reaction, stereoselective. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Quality Control of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics