Tag: 100-200

《Structure-based molecular hybridization design of Keap1-Nrf2 inhibitors as novel protective agents of acute lung injury》 was written by Zhang, Le; Xu, Lijuan; Chen, Haihu; Zhang, Wannian; Xing, Chengguo; Qu, Zhuo; Yu, Jianqiang; Zhuang, Chunlin. Recommanded Product: 683-57-8 And the article was included in European Journal of Medicinal Chemistry in 2021. The article conveys some information:

Blocking the Kelch-like epichlorohydrin-related protein 1 (Keap1)-nuclear factor-erythroid 2 related factor 2 (Nrf2) pathway represents as a promising strategy to reduce oxidative stress and related-inflammation, including acute lung injury (ALI). NXPZ-2, a naphthalensulfonamide derivative, was previously reported to effectively inhibit the Keap1-Nrf2 protein-protein interaction (PPI) by our group. In the present work, a series of novel isothiocyanate-containing naphthalensulfonamides with the thioether, sulfoxide and sulfone moieties were designed by a structure-based mol. hybridization strategy using NXPZ-2 and the Nrf2 activator sulforaphane. They possessed good Keap1-Nrf2 PPI inhibitory activity and low cytotoxicity. The mol. docking study was performed to further explain the different activity of the thioether-, sulfoxide- and sulfone-containing naphthalensulfonamides. Among these new derivatives, 2-((N-(4-((N-(2-amino-2-oxoethyl)-4-((3-isothiocyanatopropyl)sulfinyl)phenyl)sulfonamido) naphthalen-1-yl)-4-methoxyphenyl)sulfonamido)acetamide (SCN-16) showed a good KD2 value of 0.455μM to disrupt the PPI. In an LPS-induced peritoneal macrophage cell model, this compound could cause a significant increase in the nuclear Nrf2 protein, decrease in the cytosolic Nrf2 protein, and further elevate the downstream protective enzymes HO-1 and NQO-1, which were better than the lead compound NXPZ-2 and sulforaphane. What’s more, the production of ROS and NO and the expression of pro-inflammatory cytokine TNF-α were also suppressed. In the LPS-induced ALI model, SCN-16 could significantly reduce LPS-induced inflammations and alleviate lung injuries by triggering Nrf2 nuclear translocation. Collectively, our results suggested that SCN-16 could be a novel lead compound targeting Keap1-Nrf2 protective pathway for clin. treatment of ALI. In the experimental materials used by the author, we found 2-Bromoacetamide(cas: 683-57-8Recommanded Product: 683-57-8)

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.Recommanded Product: 683-57-8

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

《Synthesis and structures of amido-functionalized N-heterocyclic nickel(II) carbene complexes》 was published in Journal of Organometallic Chemistry in 2020. These research results belong to Lu, Sheng-Zhi; Yang, Hsueh-Hui; Chang, Wei-Ju; Hsueh, Hsin-Hsueh; Lin, Yong-Chieh; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang. Product Details of 683-57-8 The article mentions the following:

A series of bis-bidentate nickel(II) complexes [Ni(R-bimy-CH2CONH)2] (bimyH = benzimidazole; R = Me (3), Et (4), Ph (5)) bearing amido-functionalized N-heterocyclic carbene ligands, and pincer-type nickel(II) complexes [Ni(Py-bimy-CH2CONH)X] (X = Cl (6), Br (7)) bearing an amido- and pyridyl-functionalized N-heterocyclic carbene ligand were prepared These complexes were characterized by NMR (1D and 2D) and single-crystal x-ray diffraction. Complexes 3-5 possess cis configuration, and the carbene ligands bound to the nickel atom through C2 carbon and NH nitrogen in a bis-bidentate coordination mode. In complexes 6 and 7, the pyridyl substituent was also N-bound to the nickel metal center resulting in a pincer-type coordination mode. As observed from the proton NMR spectra, the six-membered chelate rings in complexes 3-5 rendered the protons of the methylene moieties diastereotopic, and the cis configuration made the free rotation of the Et substituent in 4 and the Ph substituent in 5 hampered by the adjacent substituent. The catalytic activity of these nickel complexes in Kumada cross-coupling of phenylmagnesium bromide with aryl chlorides was also investigated. The results indicated that pincer-type complexes 6 and 7 displayed excellent to moderate catalytic activity depending on the aryl chloride used.2-Bromoacetamide(cas: 683-57-8Product Details of 683-57-8) was used in this study.

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.Product Details of 683-57-8

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

The author of 《Synthesis and identification of heteroaromatic N-benzyl sulfonamides as potential anticancer agents》 were Hopkins, Megan D.; Abebe, Felagot A.; Scott, Kristina A.; Ozmer, Garett L.; Sheir, Alec A.; Schroeder, Lucas J.; Sheaff, Robert J.; Lamar, Angus A.. And the article was published in Organic & Biomolecular Chemistry in 2019. Related Products of 70-55-3 The author mentioned the following in the article:

A new approach for regioselective incorporation of a sulfonamide unit to heteroarene scaffolds has been developed and is reported within. As a result, a variety of primary benzylic N-alkylsulfonamides have been prepared via a two-step (one pot) formation from the in situ reduction of an intermediate N-sulfonyl imine under mild, practical conditions. The compounds have been screened against a variety of cell lines for cytotoxicity effects using a Cell Titer Blue assay. The cell viability investigation identifies a subset of N-benzylic sulfonamides derived from the indole scaffold to be targeted for further development into novel mols. with potential therapeutic value. The most cytotoxic of the compounds prepared, I (R1 = Me, R2,R3 = H; R4 = 4-ClC6H4), exhibited higher potency than other well-known anticancer agents Indisulam and ABT-751. The results came from multiple reactions, including the reaction of 4-Methylbenzenesulfonamide(cas: 70-55-3Related Products of 70-55-3)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Related Products of 70-55-3

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

In 2019,Chemistry – A European Journal included an article by Schwaerzer, Kuno; Bellan, Andreas; Zoeschg, Maximilian; Karaghiosoff, Konstantin; Knochel, Paul. Category: amides-buliding-blocks. The article was titled 《Magnesium Aldimines Prepared by Addition of Organomagnesium Halides to 2,4,6-Trichlorophenyl Isocyanide: Synthesis of 1,2-Dicarbonyl Derivatives》. The information in the text is summarized as follows:

The selective addition of organomagnesium reagents to 2,4,6-trichlorophenyl isocyanide leading to magnesiated aldimines I [R = n-Bu, Ph, Me2NC6H4, etc.] was reported. These aldimines reacted with Weinreb amides, ketones or carbonates to provide the corresponding carbonyl derivatives after acidic cleavage. This allowed for an efficient synthesis of 1,2-dicarbonyl compounds II [R1 = c-hexyl, Ph, 4-MeOC6H4, etc.] and α-hydroxy ketones III [R2R3 = (CH2)5, R2 = R3 = Ph, R2 = c-Pr, R3 = 4-FC6H4].N-Methoxy-N-methylacetamide(cas: 78191-00-1Category: amides-buliding-blocks) was used in this study.

N-Methoxy-N-methylacetamide(cas: 78191-00-1) 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

In 2019,Journal of the American Chemical Society included an article by Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David. Synthetic Route of C2H4BrNO. The article was titled 《Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe》. The information in the text is summarized as follows:

The authors report a cobalt-based paramagnetic chem. exchange saturation transfer (PARACEST) magnetic resonance (MR) probe that is able to selectively bind and quantitate the concentration of Ca2+ under physiol. conditions. The parent LCoII complex features an uncoordinated crown ether moiety in close proximity to the CoII center. Addition of Na+ or Ca2+ leads to binding of these metal ions within the crown ether. Single-crystal x-ray diffraction and solid-state magnetic measurements reveal the presence of a metal-specific coordination environment and magnetic anisotropy at Co, with the axial zero-field splitting parameter of the Na+ and Ca2+ complex differing by over 90%. Owing to these differences, solution-based measurements under physiol. conditions indicate reversible binding of Na+ and Ca2+ to give well-separated CEST peaks at 69 and 80 ppm, resp. Dissociation constants for different cation-bound complexes of LCo, as determined by 1H NMR spectroscopy, demonstrate high selectivity toward Ca2+. This finding, in conjunction with the large excess of Na+ in physiol. environments, minimizes interference from related cations, such as Mg2+ and K+. Finally, variable-[Ca2+] CEST spectra establish the ratio between the CEST peak intensities for the Ca2+- and Na+-bound probes (CEST80 ppm/CEST69 ppm) as a measure of [Ca2+], providing the first example of a ratiometric quantitation of Ca2+ concentration using PARACEST. Taken together, these results demonstrate the ability of transition metal PARACEST probes to afford a concentration-independent measure of [Ca2+], and provide a new approach for designing MR probes for cation sensing. The experimental part of the paper was very detailed, including the reaction process of 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

Product Details of 70-55-3In 2020 ,《Solid Solubilities of Sulfonamides and Use of Rapid Expansion of Supercritical Solutions for Microparticle Production》 was published in Chemical Engineering & Technology. The article was written by Yang, Tsung-Mao; Li, Jin-Shuh; Yeh, Tsao-Fa; Su, Chie-Shaan. The article contains the following contents:

The solubility of solid active pharmaceutical ingredients in supercritical fluids is a major thermodn. criterion for selection and screening of microparticle generation processes. To develop an efficient method for solubility prediction, a solution model was adopted to establish the correlations of the solid solubilities of six sulfonamides in supercritical CO2. The model was capable of determining solubility correlations. Accordingly, it was attempted to simplify and generalize the model, yielding a predictive solution model, which provided order-consistent solubility predictions. A case study for model extrapolation was conducted. After understanding the mechanisms underlying the solubility of sulfonamides, the rapid expansion of supercritical solutions (RESS) process was applied to produce microparticles of p-toluenesulfonamide, an anticancer drug. The effects of RESS process parameters were investigated. In the experiment, the researchers used many compounds, for example, 4-Methylbenzenesulfonamide(cas: 70-55-3Product Details of 70-55-3)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Product Details of 70-55-3

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

In 2022,Wang, Wei; Ma, Qiyao; Ding, Xinliang; Xu, Yihua; He, Mengting; Xu, Jie; Liu, Jianjun; Ji, Cheng; Zhang, Jie published an article in Ecotoxicology and Environmental Safety. The title of the article was 《Developmental toxicity of bromoacetamide via the thyroid hormone receptors-mediated disruption of thyroid hormone homeostasis in zebrafish embryos》.Recommanded Product: 683-57-8 The author mentioned the following in the article:

Bromoacetamide (BAcAm) is a nitrogenous disinfection byproduct. We previously found that BAcAm induced developmental toxicity in zebrafish embryos, but the underlying mechanisms remain to be elucidated. Since thyroid hormones (THs) homeostasis is crucial to development, we hypothesized that disruption of THs homeostasis may play a role in the developmental toxicity of BAcAm. In this study, we found BAcAm exposure significantly increased mortality and malformation rate, decreased hatching rate and body length, inhibited the locomotor capacity in zebrafish embryos. BAcAm elevated TSH, T3 and T4 levels, down-regulated T3/T4 ratios, and up-regulated mRNA expression changes of THs related genes (trh, tsh, tg, nis, tpo, dio1, dio2, ugt1ab,klf9 and rho), but down-regulated mRNA expression changes of TH receptors (tr α and tr β). Up-regulated tr α and tr β mRNAs by rescue treatment confirmed that both tr α and tr β were involved in the developmental toxicity of BAcAm. In conclusion, our study indicates disruption of THs homeostasis via the thyroid hormone receptors was responsible for the developmental toxicity of BAcAm. The experimental part of the paper was very detailed, including the reaction process of 2-Bromoacetamide(cas: 683-57-8Recommanded Product: 683-57-8)

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.Recommanded Product: 683-57-8

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

In 2022,Usman, Muhammad; Hueben, Michael; Kato, Takuro; Zwiener, Christian; Wintgens, Thomas; Linnemann, Volker published an article in Science of the Total Environment. The title of the article was 《Occurrence of brominated disinfection by-products in thermal spas》.Reference of 2-Bromoacetamide The author mentioned the following in the article:

Thermal spas are gaining more and more popularity among the population because they are used for recreational purposes. Disinfecting these baths without losing the health benefits poses a challenge for swimming pool operators. Previous studies have mainly focused on regulated chlorinated DBPs in freshwater pools with no bromide or seawater pools with very high bromide content. Thermal water pools have a low bromide content and in combination with chlorine can lead to chlorinated, brominated and mixed halogenated DBP species. The occurrence of brominated and mixed halogenated DBPs in these types of pools is largely unexplored, with very few or limited studies published on regulated DBPs and even fewer on emerging DBP classes. In the field of swimming pool water disinfection, apart from extensive studies in the field of drinking water disinfection, only a few studies are known in which >39 halogenated and 16 non-halogenated disinfection byproducts, including regulated trihalomethanes (THM) and haloacetic acids (HAA), were investigated in swimming pool water. Calculated bromine incorporation factor (BIF) demonstrated that even small amounts of bromide in swimming pool water can lead to a large shift in DBP species towards brominated and mixed halogenated DBPs. Dihaloacetonitriles (DHANs) accounted for >50% of the calculated cytotoxicity and genotoxicity on average Comparison of the target anal. with the TOX showed that a major part of the measured TOX (69% on average) could be explained by the regulated classes THMs, HAAs, and the unregulated class of HANs. This study aims to help operators of swimming pools with bromide-containing water to gain a better understanding of DBP formation in future monitoring and to fill the knowledge gap that has existed so far on the occurrence of DBPs in thermal water pools. The results came from multiple reactions, including the reaction of 2-Bromoacetamide(cas: 683-57-8Reference of 2-Bromoacetamide)

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.Reference of 2-Bromoacetamide

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

《Zipped-up chain-type coordination polymers: unsymmetrical amide-containing ligands inducing β-sheet or helical structures》 was written by Uemura, Kazuhiro; Kumamoto, Yuki; Kitagawa, Susumu. Recommanded Product: 64479-78-3 And the article was included in Chemistry – A European Journal in 2008. The article conveys some information:

The crystal structures of thirteen AgI coordination polymers involving py-CONH-(CH2)n-py (py = pyridine; n = 0, 1) derivatives were determined by single-crystal x-ray analyses. All of the compounds form 1-dimensional chains composed of AgI atoms and bridging ligands {[Ag(py-CONH-(CH2)n-py)][X]}n (X = PF6-, ClO4-, BF4-, and NO3- with solvent mols.). The unsym. coordination environments around AgI atoms induce direction in the chains, i.e., -[NH-(CH2)n-py-Ag-py-CO]-, which resembles the alignment of amino acid chains in proteins. In {[Ag(4-pia)][X]}n (1 ⊃ X; 4-pia = N-(4-pyridyl)isonicotinamide; X = PF6-, ClO4-, BF4-, and NO3-), {[Ag(4-pmia)][X]}n (2 ⊃ X; 4-pmia = N-(pyridin-4-ylmethyl)isonicotinamide; X = PF6-, ClO4-·H2O, and NO3-·H2O), and {[Ag(3-pmia)][X]}n (3 ⊃ X; 3-pmia = N-(pyridin-3-ylmethyl)isonicotinamide; X = PF6-, ClO4-, BF4-, and NO3-·H2O), each chain is aligned parallel to neighboring chains, but adjacent chains run in the opposite direction. Particularly in {[Ag(3-pmia)]-[PF6]}n (3 ⊃ PF6-), {[Ag(3-pmia)][ClO4]}n (3 ⊃ ClO4-), and {[Ag(3-pmia)][BF4]}n (3 ⊃ BF4-), amide moieties of 3-pmia ligands are complementarily H bonded to amide moieties in neighboring chains, as in the β-sheet motif in proteins. However, in {[Ag(4-pmna)][PF6]·MeOH}n (4-pmna = N-(pyridin-4-ylmethyl)nicotinamide), all chains in the crystal form left-handed (4a ⊃ PF6-·MeOH) and right-handed (4b ⊃ PF6-·MeOH) helical structures with a helical pitch of 28 Å. Heterogeneous anion exchanges proceed reversibly in 2, but not in 3, which provides information about the thermal stabilities of the crystals. The results came from multiple reactions, including the reaction of N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3Recommanded Product: 64479-78-3)

N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3) belongs to amides. The solubilities of amides and esters are roughly comparable. Typically amides are less soluble than comparable amines and carboxylic acids since these compounds can both donate and accept hydrogen bonds.Recommanded Product: 64479-78-3

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

《Molecular Hydrogels from Bolaform Amino Acid Derivatives: A Structure-Properties Study Based on the Thermodynamics of Gel Solubilization》 was published in Chemistry – A European Journal in 2012. These research results belong to Nebot, Vicent J.; Armengol, Jose; Smets, Johan; Prieto, Susana Fernandez; Escuder, Beatriu; Miravet, Juan F.. COA of Formula: C11H9N3O The article mentions the following:

Insight is provided into the aggregation thermodn. associated with hydrogel formation by mol. gelators derived from L-valine and L-isoleucine. Solubility data from NMR measurements are used to extract thermodn. parameters for the aggregation in water. At room temperature and up to 55°C, these systems form self-assembled fibrillar networks in water with quite low or zero enthalpic component, whereas the entropy of the aggregation is favorable. These results are explained by considering that the hydrophobic effect is dominant in the self-assembly. However, studies by NMR and IR spectroscopy reveal that intermol. hydrogen bonding is also a key issue in the aggregation process of these mols. in water. The low enthalpy values measured for the self-assembly process are ascribed to the result of a compensation of the favorable intermol. hydrogen-bond formation and the unfavorable enthalpy component of the hydrophobic effect. Addnl., by using the hydrophobic character as a design parameter, enthalpy-controlled hydrogel formation, as opposed to entropy-controlled hydrogel formation, can be achieved in water if the gelator is polar enough. It is noteworthy that these two types of hydrogels, enthalpy- vs. entropy-driven hydrogels, present quite different response to temperature changes in properties such as the min. gelator concentration or the rheol. moduli. Finally, the presence of a polymorphic transition in a hydrogel upon heating above 70°C is reported and ascribed to the weakening of the hydrophobic effect upon heating. The new soft polymorphic materials present dramatically different solubility and rheol. properties. Altogether these results are aimed to contribute to the rational design of mol. hydrogelators, which could be used for the tailored preparation of this type of soft materials. The reported results could also provide ground for the rationale of different self-assembly processes in aqueous media. The experimental process involved the reaction of N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3COA of Formula: C11H9N3O)

N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3) belongs to amides. Because of the greater electronegativity of oxygen, the carbonyl (C=O) is a stronger dipole than the N–C dipole.COA of Formula: C11H9N3O The presence of a C=O dipole and, to a lesser extent a N–C dipole, allows amides to act as H-bond acceptors. In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well.

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