M.W=150-200 Archives - Page 33 of 139 - Amides-buliding-blocks

Niculescu, S. P.’s team published research in SAR and QSAR in Environmental Research in 15 | CAS: 2447-79-2

SAR and QSAR in Environmental Research published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Synthetic Route of 2447-79-2.

Niculescu, S. P. published the artcileUsing fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow, Synthetic Route of 2447-79-2, the publication is SAR and QSAR in Environmental Research (2004), 15(4), 293-309, database is CAplus and MEDLINE.

The paper is illustrating how the general data mining methodol. may be adapted to provide solutions to the problem of high throughput virtual screening of organic chems. for possible acute toxicity to the fathead minnow fish. The present approach involves mining fragment information from chem. structures and is using probabilistic neural networks to model the relationship between structure and toxicity. Probabilistic neural networks implement a special class of multivariate non-linear Bayesian statistical models. The math. principles supporting their use for value prediction purposes are clarified and their peculiarities discussed. As part of the research phase of the data mining process, a dataset consisting of 800 structures and associated fathead minnow (Pimephales promelas) 96-h LC50 acute toxicity endpoint information is used for both the purpose of identifying an advantageous combination of fragment descriptors and for training the neural networks. As a result, two powerful models are generated. Model 1 implements the basic PNN with Gaussian kernel (statistical corrections included) while Model 2 implements the PNN with Gaussian kernel and separated variables. External validation is performed using a sep. dataset consisting of 86 structures and associated toxicity information. Both learning and generalization capabilities of the two models are investigated and their limitations discussed.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Alsharif, Zakeyah A.’s team published research in RSC Advances in 7 | CAS: 64559-06-4

RSC Advances published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C8H9NOS, Computed Properties of 64559-06-4.

Alsharif, Zakeyah A. published the artcileModular synthesis of thiazoline and thiazole derivatives by using a cascade protocol, Computed Properties of 64559-06-4, the publication is RSC Advances (2017), 7(52), 32647-32651, database is CAplus and MEDLINE.

The first synthetic protocol by which both thiazolines I (R = Me, allylamino, pyridin-2-yl, (E)-2-[(4-chlorophenyl)methylidene]hydrazin-1-yl, etc.) and thiazoles II [R¹ = 4-chlorophenyl, 4-trifluoromethylphenyl, benzylamino, (4-carboxyphenyl)aminyl] can be prepared has been reported. Novel mols. I and II are efficiently synthesized by using readily available and inexpensive substrates. The reaction conditions are mild and pure products were obtained without work-up and column purification

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Okolo, ChrisTina’s team published research in ACS Omega in 3 | CAS: 64559-06-4

ACS Omega published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C8H9NOS, Application of 3-Methoxybenzothioamide.

Okolo, ChrisTina published the artcileHexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents, Application of 3-Methoxybenzothioamide, the publication is ACS Omega (2018), 3(12), 17991-18001, database is CAplus and MEDLINE.

A cascade reaction of thioamides with 6-bromoandrostenedione in hexafluoroisopropanol formed substituted thiazolo-androstenones. This is a simple and mild protocol to synthesize novel mols. by using readily available reagents and substrates. Feasibility of the reaction has been rationalized by d. functional theory (DFT) calculations Moreover, these compounds are potent growth inhibitors of colon, central nervous system (CNS), melanoma, ovarian, and renal cancer cell lines with 50% growth inhibition (GI50) values as low as 1.04 μM.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Rezaei, Manuchehr’s team published research in Catalysis Communications in 91 | CAS: 2447-79-2

Catalysis Communications published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Application of 2,4-Dichlorobenzamide.

Rezaei, Manuchehr published the artcileOne-pot green catalytic synthesis of primary amides in aqueous medium by Cu^II-immobilized silica-based magnetic retrievable nanocatalyst, Application of 2,4-Dichlorobenzamide, the publication is Catalysis Communications (2017), 38-42, database is CAplus.

In order to develop a new nanocatalyst, a copper-birhodanine derivative complex crafted onto Fe₃O₄@SiO₂ nanoparticle [abbreviated as Fe₃O₄@SiO₂-Ligand-Cu(II)] was synthesized and the structure was characterized by different physicochem. techniques. This new magnetic nanoparticle revealed high catalytic performance for one-pot green synthesis of primary amides from aldehydes and NH₂OH·HCl in water as a green solvent. The effects of catalyst amounts, reaction temperature, various bases and type of solvent on catalytic activity were also investigated. The catalyst was retrieved eight times without significant loss of its catalytic activity.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Wellaway, Christopher R.’s team published research in Journal of Medicinal Chemistry in 63 | CAS: 475216-25-2

Journal of Medicinal Chemistry published new progress about 475216-25-2. 475216-25-2 belongs to amides-buliding-blocks, auxiliary class Fluoride,Nitro Compound,Amine,Benzene,Amide,Benzene Compounds, name is 4-Fluoro-N-methyl-3-nitrobenzamide, and the molecular formula is C3H9ClOS, Related Products of amides-buliding-blocks.

Wellaway, Christopher R. published the artcileDiscovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening, Related Products of amides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2020), 63(2), 714-746, database is CAplus and MEDLINE.

The bromodomain and extraterminal (BET) family of bromodomain-containing proteins are important regulators of the epigenome through their ability to recognize N-acetyl lysine (KAc) post-translational modifications on histone tails. These interactions have been implicated in various disease states and, consequently, disruption of BET-KAc binding has emerged as an attractive therapeutic strategy with a number of small mol. inhibitors now under investigation in the clinic. However, until the utility of these advanced candidates is fully assessed by these trials, there remains scope for the discovery of inhibitors from new chemotypes with alternative physicochem., pharmacokinetic, and pharmacodynamic profiles. Herein, we describe the discovery of a candidate-quality dimethylpyridone benzimidazole compound which originated from the hybridization of a dimethylphenol benzimidazole series, identified using encoded library technol., with an N-Me pyridone series identified through fragment screening. Optimization via structure- and property-based design led to I-BET469, which possesses favorable oral pharmacokinetic properties, displays activity in vivo, and is projected to have a low human efficacious dose.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Shingare, M. S.’s team published research in Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry in 1979-09-30 | CAS: 35203-88-4

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about thiazole amino sulfamoylphenyl; chlorosulfonation arylthiazole; sulfonamide; phenylsulfonamide; aminothiazole. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Quality Control of 35203-88-4.

Shingare, M. S. published the artcileSynthesis of sulfonamides derived from 2-acetamido-4-(3′-chlorosulfonyl-4′-aryl)thiazoles, Quality Control of 35203-88-4, the main research area is thiazole amino sulfamoylphenyl; chlorosulfonation arylthiazole; sulfonamide; phenylsulfonamide; aminothiazole.

Chlorosulfonation of 2-acetamido-4-arylthiazoles yielded 2-acetamido-4-(3-chlorosulfonyl-4-substituted aryl)thiazoles, which were converted into the corresponding sulfonamides I (R = Me, Cl, Br) and N-substituted phenyl-sulfonamides II (R1 = H, Me, Cl, OMe, OEt, Br). II were hydrolysed to the resp. 2-aminothiazoles. The position of sulfonamido group in I was confirmed by NMR spectra and chem. methods.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Altomare, Cosimo’s team published research in Journal of Pharmacy and Pharmacology in 1991-03-31 | CAS: 35203-88-4

Journal of Pharmacy and Pharmacology published new progress about Acidity. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Safety of 3-Acetylbenzenesulfonamide.

Altomare, Cosimo published the artcileDetermination of lipophilicity and hydrogen-bond donor acidity of bioactive sulfonyl-containing compounds by reversed-phase HPLC and centrifugal partition chromatography and their application to structure-activity relations, Safety of 3-Acetylbenzenesulfonamide, the main research area is lipophilicity hydrogen acidity benzenesulfonamide aminodiphenylsulfone QSAR; structure lipophilicity hydrogen acidity benzenesulfonamide aminodiphenylsulfone.

The lipophilic character of two large series of substituted benzenesulfonamides (BzSA)and 4-aminodiphenylsulfones (4-ADS) has been assessed by two chromatog. methods, i.e. reversed-phase HPLC using a relatively novel octadecylpolyvinyl packing and centrifugal counter-current chromatog. (CPC). The octadecylpolyvinyl stationary phase proved an interesting alternative to the more common octadecylsilane type stationary phase for obtaining retention parameters correlated to partition coefficients (i.e. log P). The CPC method, being far less time-consuming and markedly more precise than the classical shake-flask method, offers a promising alternative to measuring partition coefficients The parameter Δlog Poct-hep, i.e. log Poctanol minus log Pheptane, was also examined for both congeneric series and was indicative of a similar H-bonding capacity for the SO2NH2 and 4-NH2-C6H4-SO2 groups. QSAR analyses of carbonic anhydrase inhibition by BzSA and antimycobacterial activity of 4-ADS show the capacity of the new lipophilicity parameters to express the hydrophobic component of the drug-enzyme interactions and to reveal a possible role of H-bond donor capacity in governing the antimycobacterial activity of 4-ADS.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Li, Xiangjie’s team published research in Biosensors & Bioelectronics in 2014-01-15 | CAS: 10405-38-6

Biosensors & Bioelectronics published new progress about Adsorption. 10405-38-6 belongs to class amides-buliding-blocks, name is N,N’-(Butane-1,4-diyl)diacrylamide, and the molecular formula is C10H16N2O2, COA of Formula: C10H16N2O2.

Li, Xiangjie published the artcilePreparation and characterization of bovine serum albumin surface-imprinted thermosensitive magnetic polymer microsphere and its application for protein recognition, COA of Formula: C10H16N2O2, the main research area is bovine serum albumin thermosensitivity magnetic microsphere; Bovine serum albumin; Magnetic microspheres; Molecular recognition; Thermosensitivity.

A novel bovine serum albumin surface-imprinted thermosensitive magnetic composite microsphere was successfully prepared by the surface grafting copolymerization method in the presence of temperature-sensitive monomer N-isopropylacrylamide (NIPAM), functional monomer methacrylic acid (MAA) and crosslinking agent N,N’-methylenebisacrylamide (MBA). The structure and component of the thermosensitive magnetic molecularly imprinted microsphere were investigated by transmission electron microscopy (TEM), Fourier transform IR (FT-IR), vibrating sample magnetometer (VSM) and thermogravimetric anal. (TGA). The results of thermosensitivity, adsorption capacity, selectivity and reusability showed the formation of a thermosensitivity grafting polymer layer P(NIPAM-MAA-MBA) on the surface of Fe3O4@SiO2 and the good adsorption capacity and specific recognition for template protein. When the adsorption temperature was higher than the lower critical solution temperature (LCST) of poly(N-isopropylacrylamide) (PNIPAM), shape memory effect of imprinted cavities would be more effective. In other words, it was more conducive to capture template mols. under this condition and the imprinting factor would be higher. On the other hand, when the desorption temperature was lower than LCST of PNIPAM, the decrease of shape memory effect between imprinted cavities and template mols. would facilitate the release of template mols. from the imprinted cavities. Based on this property, the adsorption and desorption of template mols. could be regulated by system temperature indirectly which benefited from the existence of thermosensitivity imprinting layer.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhou, Shijiao’s team published research in Polymers (Basel, Switzerland) in 2016-04-30 | CAS: 10405-38-6

Polymers (Basel, Switzerland) published new progress about Aggregation. 10405-38-6 belongs to class amides-buliding-blocks, name is N,N’-(Butane-1,4-diyl)diacrylamide, and the molecular formula is C10H16N2O2, HPLC of Formula: 10405-38-6.

Zhou, Shijiao published the artcileThe synthesis of backbone thermo and pH responsive hyperbranched poly(bis(N,N-propyl acryl amide))s by RAFT, HPLC of Formula: 10405-38-6, the main research area is hyperbranched polyacrylamide synthesis RAFT polymerization; RAFT; backbone; hyperbranched; poly(bis(N,N-propyl acrylamide)); thermo-pH response.

Hyperbranched poly(methylene-bisacrylamide), poly(bis(N,N-propylacrylamide)) (HPNPAM) and poly(bis(N,N-butylacrylamide)) were synthesized by reversible addition fragmentation chain transfer polymerization HPNPAMs showed lower critical solution temperature (LCST) due to an appropriate ratio between hydrophilic and hydrophobic groups. The effects of reaction conditions on polymerization were investigated in detail. The structure of HPNPAM was characterized by 1H NMR, FT-IR, Muti detector-size exclusion chromatog. (MDSEC) and UV-visible (UV-Vis). The α value reached 0.20 and DB was 90%, indicating HPNPAMs with compact topol. structure were successfully prepared LCSTs were tuned by Mw and the pH value of the solution The change of mol. size was assayed by dynamic light scattering and scanning electron microscope. These results indicated that the stable uniform nanomicelles were destroyed and macromols. aggregated together, forming large particles as temperature exceeded LCST. In addition, after the cells were incubated for 24 h, the cell viability reached 80%, which confirmed this new dual responsive HPNPAM had low cytotoxicity.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Altomare, C.’s team published research in International Journal of Pharmaceutics in 1989-12-01 | CAS: 35203-88-4

International Journal of Pharmaceutics published new progress about Lipophilicity. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Computed Properties of 35203-88-4.

Altomare, C. published the artcileLipophilicity measurements of benzenesulfonamide inhibitors of carbonic anhydrase by reversed-phase HPLC, Computed Properties of 35203-88-4, the main research area is lipophilicity benzenesulfonamide HPLC; carbonic anhydrase inhibitor benzenesulfonamide QSAR.

The lipophilicity of 33 meta and para substituted benzenesulfonamides was studied by reversed-phase HPLC using MeOH-H2O or MeCO-H2O as the mobile phases and μ Bondapak C18 as the stationary phase. A linear relation between the capacity factor (log k’) and the volume fraction of the organic modifier (θ) was established for each solute. The extrapolation of the retention to φ = 0 (0% of organic modifier) 0% organic modifier) permitted the elimination of any selective and specific effects of organic modifier, to calculate log kw and finally to derive τw for each substituent. The Hansch’s π hydrophobic parameter was linearly correlated to τw (r = 0.953), but no improvement in the correlation equation was observed when τw values obtained by adding silanol masking amines to the mobile phase were used. By introducing an indicator variable which takes into account the possibility of the substituent to make hydrogen bonding, a slight but significant improvement was instead observed The replacement of π with τw in the regression equation obtained in a recent QSAR study on carbonic anhydrase inhibition by benzenesulfonamide gives rise to a correlation equation with comparable statistical significance.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics