Month: October 2022

In 2019,Separation Science plus included an article by Hidalgo-Serrano, Miriam; Borrull, Francesc; Marce, Rosa M.; Pocurull, Eva. Electric Literature of C7H9NO2S. The article was titled 《Presence of benzotriazoles, benzothiazoles and benzenesulfonamides in surface water samples by liquid chromatography coupled to high-resolution mass spectrometry》. The information in the text is summarized as follows:

An anal. method has been developed for the simultaneous determination of seven benzotriazole, five benzothiazole and four benzenesulfonamide derivatives in surface water samples. The procedure is based on solid-phase extraction with Oasis HLB, followed by high-performance liquid chromatog. coupled to high-resolution mass spectrometry. Apparent recoveries ranged from 40 to 101%, except for compounds the matrix effect of which was above -60%. The repeatability (n = 5) of the method was below 20% for all compounds except 4-hydroxybenzotriazole in river water. The method limits of detection for most compounds ranged from 1 to 12 ng/L for both river water and seawater. The method was then used for the determination of the studied compounds in several river water and seawater samples from harbor and coastal areas. 1-H-Benzotriazole (up to 78 ng/L in river water and above the upper limit of the calibration curve in seawater) and 4-methyl-1-H-benzotriazole (up to 44 ng/L in river water and 338 ng/L in seawater) were the most abundant compounds quantified in the samples, even though 5-methyl-1-H-benzotriazole and 2-hydroxybenzothiazole were also found in most samples. Some compounds were frequently found in certain types of samples, such as 2-aminobenzothiazole in river water. Benzenesulfonamide derivatives could not be quantified in any sample. In the experimental materials used by the author, we found 4-Methylbenzenesulfonamide(cas: 70-55-3Electric Literature of C7H9NO2S)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Electric Literature of C7H9NO2S

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

《Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNFα Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches》 was published in Journal of Medicinal Chemistry in 2020. These research results belong to Xiao, Hai-Yun; Li, Ning; Duan, James J.-W.; Jiang, Bin; Lu, Zhonghui; Ngu, Khehyong; Tino, Joseph; Kopcho, Lisa M.; Lu, Hao; Chen, Jing; Tebben, Andrew J.; Sheriff, Steven; Chang, ChiehYing Y.; Yanchunas, Joseph Jr.; Calambur, Deepa; Gao, Mian; Shuster, David J.; Susulic, Vojkan; Xie, Jenny H.; Guarino, Victor R.; Wu, Dauh-Rurng; Gregor, Kurt R.; Goldstine, Christine B.; Hynes, John Jr.; Macor, John E.; Salter-Cid, Luisa; Burke, James R.; Shaw, Patrick J.; Dhar, T. G. Murali. Recommanded Product: N-Methoxy-N-methylacetamide The article mentions the following:

Scaffold hopping and structure-based drug design were employed to identify substituted 4-aminoquinolines and 4-aminonaphthyridines as potent, small mol. inhibitors of tumor necrosis factor alpha (TNFα). Structure-activity relationships in both the quinoline and naphthyridine series leading to the identification of compound 42 with excellent potency and pharmacokinetic profile are discussed. X-ray co-crystal structure anal. and ultracentrifugation experiments clearly demonstrate that these inhibitors distort the TNFα trimer upon binding, leading to aberrant signaling when the trimer binds to TNF receptor 1 (TNFR1). Pharmacokinetic-pharmacodynamic activity of compound 42 in a TNF-induced IL-6 mouse model and in vivo activity in a collagen antibody-induced arthritis model, where it showed biol.-like in vivo efficacy, will be discussed. In the experiment, the researchers used many compounds, for example, N-Methoxy-N-methylacetamide(cas: 78191-00-1Recommanded Product: N-Methoxy-N-methylacetamide)

N-Methoxy-N-methylacetamide(cas: 78191-00-1) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.Recommanded Product: N-Methoxy-N-methylacetamide

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

《Boron-Catalyzed N-Alkylation of Arylamines and Arylamides with Benzylic Alcohols》 was published in Journal of Organic Chemistry in 2020. These research results belong to Guru, Murali Mohan; Thorve, Pradip Ramdas; Maji, Biplab. Name: 4-Methylbenzenesulfonamide The article mentions the following:

A sustainable boron-based catalytic approach for chemoselective N-alkylation of primary and secondary aromatic amines and amides with primary, secondary, and tertiary benzylic alcs. have been presented. The metal-free protocol operates at low catalyst loading, tolerates several functional groups and generates H2O as the sole byproduct. Preliminary mechanistic studies were performed to demonstrate the crucial role of boron catalyst for the activation of the intermediate dibenzyl ether and to identify the rate-determining step. In the experiment, the researchers used many compounds, for example, 4-Methylbenzenesulfonamide(cas: 70-55-3Name: 4-Methylbenzenesulfonamide)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Name: 4-Methylbenzenesulfonamide

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

Mouchel Dit Leguerrier, D.; Barre, R.; Ruet, Q.; Imbert, D.; Philouze, C.; Fries, P. H.; Martel-Frachet, V.; Molloy, J. K.; Thomas, F. published their research in Dalton Transactions in 2021. The article was titled 《Lanthanide complexes of DOTA-nitroxide conjugates for redox imaging: spectroelectrochemistry, CEST, relaxivity, and cytotoxicity》.Synthetic Route of C2H4BrNO The article contains the following contents:

The lanthanide(III) complexes (Gd, Eu, Dy, and Yb) of DOTA tris(amide) and bis(amide) derivatives (L1 and L2) featuring one redox active TEMPO arm were prepared Ligand L2 harbours an alkyne fragment for further functionalization. The x-ray crystal structure of ligand L2 in complexation with Na+ was solved. The complexes showed in their CV one oxidation wave (0.26-0. 34 V vs. Fc+/Fc) due to an oxoammonium/nitroxide redox couple and a broad reduction corresponding to the nitroxide/hydroxylamine system. The Eu complexes demonstrated the presence of one water mol. in their coordination sphere. The nitroxide complexes were characterized by EPR spectroscopy, showing the typical 3-line pattern in the high temperature regime, which is quenched upon the addition of ascorbate (reduction into hydroxylamine). In their nitroxide form, the complexes show essentially no CEST peak. Conversely, the reduced complexes demonstrate a 12% CEST peak at 51 ppm, corresponding to the metal bound water mol. Fast exchange precluded the CEST activity for the amide protons. All the complexes proved to be essentially non-toxic for M21 cells at concentrations up to 50μM. After reading the article, we found that the author used 2-Bromoacetamide(cas: 683-57-8Synthetic Route of C2H4BrNO)

2-Bromoacetamide(cas: 683-57-8) can be used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.Synthetic Route of C2H4BrNO

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

Category: amides-buliding-blocksIn 2022 ,《Synthesis, characterization, molecular modeling against EGFR target and ADME/T analysis of novel purine derivatives of sulfonamides》 appeared in Journal of Molecular Structure. The author of the article were Bhat, Mashooq A.; Tuzun, Burak; Alsaif, Nawaf A.; Ali Khan, Azmat; Naglah, Ahmed M.. The article conveys some information:

A novel series of purine derivatives containing sulfonamide moiety I [R = NH, CH2CH2NH, NHSO2, etc.; R1 = SO2OH, SO2NH2, SO2NC(NH)2, etc.] were synthesized in good yield by the single-step reaction method. The chem. activities of the mols. at the B3LYP, HF, M062X level 3-21 g, 6-31 g, and SDD basis were set with the Gaussian package program. The biol. activities of the mols. against the epidermal growth factor receptor (EGFR) proteins (PDB ID: 1M17 and 2ITN) were compared with the Maestro Mol. modeling platform by Schrodinger. Compound I [R = NH; R1 = SO2NH-2-4,5-dimethyloxazole] had the highest value in all basis sets, according to the numerical value of the HOMO parameter. The interactions of compound I [R = NH; R1 = SO2NH-2-4,5-dimethyloxazole] with Epidermal Growth Factor Receptor ID: 1M17 and ID: 2ITN proteins, presented the highest activity. Finally, ADME/T anal. was performed to examine the drug properties of the mols. In the part of experimental materials, we found many familiar compounds, such as 4-Methylbenzenesulfonamide(cas: 70-55-3Category: amides-buliding-blocks)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Category: amides-buliding-blocks

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

Product Details of 70-55-3In 2021 ,《Rhodium(III)-Catalyzed Aryl Borrowing Amination of Diaryl Methanols Containing Pyridine-Directing Groups》 appeared in Advanced Synthesis & Catalysis. The author of the article were Liu, Zheng-Qiang; Tao, Jing; Zhuang, Xin; Hong, Chuan-Ming; Luo, Zhen; Wu, Yu-Fei; Li, Qing-Hua; Liu, Tang-Lin. The article conveys some information:

The rhodium(III)-catalyzed aryl borrowing amination of various diaryl methanols with sulfonamides was developed. The amination of alcs. via C-C bond activation was less developed and remains a challenge. These aryl borrowing reactions feature mild reaction conditions, good functional group tolerance and compatibility with a wide range of alcs., overall comprising an atom- and step-economic procedure. Mechanistic studies indicated that a rhodacycle complex exist during the aryl borrowing amination reaction. In the experimental materials used by the author, we found 4-Methylbenzenesulfonamide(cas: 70-55-3Product Details of 70-55-3)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Product Details of 70-55-3

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

Computed Properties of C11H24N2OIn 2020 ,《Non-naturally Occurring Regio Isomer of Lysophosphatidylserine Exhibits Potent Agonistic Activity toward G Protein-Coupled Receptors》 was published in Journal of Medicinal Chemistry. The article was written by Nakamura, Sho; Sayama, Misa; Uwamizu, Akiharu; Jung, Sejin; Ikubo, Masaya; Otani, Yuko; Kano, Kuniyuki; Omi, Jumpei; Inoue, Asuka; Aoki, Junken; Ohwada, Tomohiko. The article contains the following contents:

Lysophosphatidylserine (LysoPS), an endogenous ligand of G protein-coupled receptors, consists of L-serine, glycerol, and fatty acid moieties connected by phosphodiester and ester linkages, resp. An ester linkage of phosphatidylserine can be hydrolyzed at the 1-position or at the 2-position to give 2-acyl lysophospholipid or 1-acyl lysophospholipid, resp. 2-Acyl lysophospholipid is in nonenzymic equilibrium with 1-acyl lysophospholipid in vivo. On the other hand, 3-acyl lysophospholipid is not found, at least in mammals, raising the question of whether the reason for this might be that the 3-acyl isomer lacks the biol. activities of the other isomers. Here, to test this idea, we designed and synthesized a series of new 3-acyl lysophospholipids. Structure-activity relationship studies of more than 100 “”glycol surrogate”” derivatives led to the identification of potent and selective agonists for LysoPS receptors GPR34 and P2Y10. Thus, the non-natural 3-acyl compounds are indeed active and appear to be biol. orthogonal with respect to the physiol. relevant 1- and 2-acyl lysophospholipids.tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8Computed Properties of C11H24N2O) was used in this study.

tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Computed Properties of C11H24N2O

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

Computed Properties of C11H24N2OIn 2015 ,《Triggering Activity of Catalytic Rod-Like Supramolecular Polymers》 was published in Chemistry – A European Journal. The article was written by Huerta, Elisa; van Genabeek, Bas; Lamers, Brigitte A. G.; Koenigs, Marcel M. E.; Meijer, E. W.; Palmans, Anja R. A.. The article contains the following contents:

Supramol. polymers based on benzene-1,3,5-tricarboxamides (BTAs) functionalized with an L- or D-proline moiety I [R = H, Me; R1 = (S)-3,7-dimethyloctyl, (R)-3,7-dimethyloctyl, n-decane, n-octane] and II [R2 = (R)-3,7-dimethyloctyl] display high catalytic activity toward aldol reactions in water. High turnover frequencies (TOF) of up to 27×10-4 s-1 and excellent stereoselectivities (up to 96 % de, up to 99 % ee) were observed In addition, the catalyst could be reused and remained active at catalyst loadings and substrate concentrations as low as 0.1 mol % and 50 mM, resp. A temperature-induced conformational change in the supramol. polymer triggers the high activity of the catalyst. The supramol. polymer’s helical sense in combination with the configuration of the proline (L- or D-) is responsible for the observed selectivity. In the experiment, the researchers used many compounds, for example, tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8Computed Properties of C11H24N2O)

tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Computed Properties of C11H24N2O

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

《Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2 Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer》 was written by Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi. Related Products of 64479-78-3 And the article was included in Organometallics on April 11 ,2011. The article conveys some information:

Coordination-driven self-assembly of oxalato-bridged half-sandwich p-cymene Ru complex [Ru2(μ-η4-C2O4)(MeOH)2(η6-p-cymene)2](O3SCF3)2 (1a) with several ditopic donors (La-Ld) in MeOH affords bi- and tetranuclear metallamacrocycles (2a and 3-5). Similarly, the combination of 2,5-dihydroxy-1,4-benzoquinonato (dhbq)-bridged binuclear complex [Ru2(μ-η4-C6H2O4)(MeOH)2(η6-p-cymene)2](O3SCF3)2 (1b) with a flexible bidentate amide linker (La) in 1:1 molar ratio gave the corresponding tetranuclear complex 2b. All the macrocycles were isolated as their triflate salts in high yields and were fully characterized by various spectroscopic techniques. Finally, the mol. structures of all the assemblies were determined unambiguously by single-crystal X-diffraction anal. The combination of acceptor 1a or 1b with an unsym. linear ditopic donor La results in a self-sorted linkage isomeric (head-to-tail) macrocycle (2a or 2b) despite the possibility of formation of two different isomeric macrocycles (head-to-head or head-to-tail) due to different connectivity of the donor. Mol. structures of the complexes 2a and 2b showed tetranuclear rectangular geometry with dimensions of 5.51 Å × 13.29 Å for 2a and 7.91 Å × 13.46 Å for 2b. In both cases, two binuclear RuII2 building blocks are connected by a μ-N-(4-pyridyl)isonicotinamide donor in a head-to-tail fashion. Surprisingly, the macrocycle 2a loses one counteranion and cocrystallizes with monodeprotonated 1,3,5-trihydroxybenzene via strong intermol. π-π stacking and H bonding. The tweezer complex 3 showed strong fluorescence in solution, and it showed fluorescence sensing toward nitroarom. compounds A fluorescence study demonstrated a marked quenching of the initial fluorescence intensity of the macrocycle 3 upon gradual addition of trinitrotoluene and exhibits significant fluorescence quenching response only for nitroarom. compounds compared to various other aromatic compounds tested. The experimental part of the paper was very detailed, including the reaction process of N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3Related Products of 64479-78-3)

N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3) belongs to amides.Related Products of 64479-78-3 Amides include many other important biological compounds, as well as many drugs like paracetamol, penicillin and LSD. Low-molecular-weight amides, such as dimethylformamide, are common solvents.

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

《Synthesis and anticonvulsant activity of 3-alkoxycarbonylaminomethylcarbonylamino-4-benzoylpyridines》 was published in Drug Design and Delivery in 1990. These research results belong to Fiakpui, Charles Y.; Namchuk, Mark N.; Knaus, Edward E.. Computed Properties of C10H14N2O The article mentions the following:

3-Alkoxycarbonylaminomethylcarbonylamino-4-(arylcarbonyl)pyridines I (R1 = aryl; R2 = tert-Bu or CH2Ph; R3 = H or Me) or II, in which the chlorophenyl ring of dipeptidylaminobenzophenones is replaced by a pyridyl ring were synthesized and evaluated as anticonvulsants using s.c. pentylenetetrazole (scPTZ) and maximal electroshock (MES) induced seizure screening tests. The substituent on the aryl ring of the 4-arylcarbonyl moiety was a determinant of activity in both tests, the potency order of substituents being generally 2-F > 2-H > 2-Cl. Compounds possessing a 3-benzyloxycarbonylaminomethylcarbonylamino substituent exhibited moderate activity in the scPTZ test, whereas all 3-tert-butoxycarbonylaminomethylcarbonylamino derivatives were inactive. The test results in the scPTZ screen suggest that the 3-benzyloxycarbonylaminomethylcarbonyl(N-methyl)amino compounds may undergo biotransformation, at least in part, to pyrido[3,4-e]-1,4-diazepin-2-ones. 3-Alkoxycarbonylaminomethylcarbonyl(N-methyl)amino-substituted compounds were always more potent than analogous 3-alkoxycarbonylaminomethylcarbonylamino-substituted compounds in the scPTZ test, whereas they were equipotent in the MES screen. Following oral administration, 3-benzyloxycarbonylaminomethylcarbonyl(N-methyl)amino-4-(2-chlorobenzoyl)pyridine exhibited a potency greater that that of valproic acid but less than that of clonazepam in the rat scPTZ screening test. 3-Benzyloxycarbonylaminomethylcarbonylamino-4-(2-fluorobenzoyl)pyridine was the most potent compound in the rat oral MES screening test, exhibiting an activity greater than that of clonazepam but less than that of phenytion. The 3-alkoxycarbonylaminomethylcarbonylamino-4-(arylcarbonyl)pyridines had moderate affinity for the benzodiazepine receptor site(s); the IC50s in displacing 10 nM [3H]flunitazepam were in the 0.37-15.11 μM range (clonazepam = 0.003 μM). In the experimental materials used by the author, we found 2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3Computed Properties of C10H14N2O)

2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Computed Properties of C10H14N2O

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