Tag: 100-200

In 2012,Nitta, Aiko; Fujii, Hideaki; Sakami, Satoshi; Satoh, Mikiya; Nakaki, Junko; Satoh, Shiho; Kumagai, Hiroki; Kawai, Hideki published 《Novel series of 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides as potent and selective dipeptidyl peptidase IV inhibitors》.Bioorganic & Medicinal Chemistry Letters published the findings.Application of 16982-21-1 The information in the text is summarized as follows:

A series of novel 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides were investigated as dipeptidyl peptidase IV (DPP-4) inhibitors. Introduction of a 4-phenylthiazol-2-yl group showed highly potent DPP-4 inhibitory activity. Among various derivatives, (3R)-3-amino-N-(4-(4-phenylthiazol-2-yl)-tetrahydro-2H-thiopyran-4-yl)-4-(2,4,5-trifluorophenyl)butanamide 1,1-dioxide reduced blood glucose excursion in an oral glucose tolerance test by oral administration. In the experiment, the researchers used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Application of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Application of 16982-21-1

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In 2002,Ladame, Sylvain; Willson, Michele; Perie, Jacques published 《A convenient synthesis of dibenzyl α,α-difluoromethyl-β-ketophosphonates》.European Journal of Organic Chemistry published the findings.Formula: C4H8O3 The information in the text is summarized as follows:

The first synthesis of dibenzyl α,α-difluoro-β-ketophosphonates has been accomplished by an original fluorination reaction, namely addition of the F+ ion to the enolate form of the corresponding dibenzyl β-ketophosphonate. After an easy cleavage of the benzyloxy protecting groups on the phosphorus atom, α-fluoro-β-ketophosphonic acids were subsequently obtained as stable carboxyphosphate mimics. This approach enables α,α-difluoro-β-ketophosphonate moieties to be introduced into multiply functionalized mols., thus making the previously described di-Et phosphonate route no longer relevant. Moreover, study of their stability under neutral and basic conditions showed the importance of the keto-enol equilibrium in the decomposition pathway of these mols. In the part of experimental materials, we found many familiar compounds, such as Methyl 3-hydroxypropanoate(cas: 6149-41-3Formula: C4H8O3)

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Formula: C4H8O3

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The author of 《Acid-catalyzed, regioselective [3+3] annulation of enaminones and α-substituted cinnamic acids: access to 3,4-dihydropyridones and 2-piperidinones》 were Chithanna, Sivanna; Roy, Animesh; Yang, Ding-Yah. And the article was published in Organic & Biomolecular Chemistry in 2021. Product Details of 13412-12-9 The author mentioned the following in the article:

An efficient strategy for the synthesis of structurally diverse 3,4-dihydropyridones, e.g., I and 2-piperidinones II (R = H, Me; R1 = H, OMe; R2 = H, Br) is reported. The former was prepared via acid-catalyzed Michael addition of enaminones, e.g., 3-(ethylamino)-5,5-dimethyl-2-cyclohexen-1-one to electron-deficient α-substituted cinnamic acids R3CH=C(R4)C(O)OH (R3 = Ph, 1-naphthyl, 2-furyl, etc.; R4 = CN, C(O)2Et) followed by lactamization, whereas the latter was synthesized by the same methodol. except that cinnamic acids were replaced with coumarin 3-carboxylic acids. A unique regioselective reactivity of the enaminones toward different cinnamic acid derivatives is described. In the experimental materials used by the author, we found Methyl 3-(methylamino)but-2-enoate(cas: 13412-12-9Product Details of 13412-12-9)

Methyl 3-(methylamino)but-2-enoate(cas: 13412-12-9) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Product Details of 13412-12-9

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Kitamura, M.; Tokunaga, M.; Noyori, R. published an article on January 13 ,1993. The article was titled 《Quantitative expression of dynamic kinetic resolution of chirally labile enantiomers: stereoselective hydrogenation of 2-substituted 3-oxo carboxylic esters catalyzed by BINAP-ruthenium(II) complexes》, and you may find the article in Journal of the American Chemical Society.Product Details of 936-03-8 The information in the text is summarized as follows:

Hydrogenation of chirally unstable 2-substituted 3-oxo carboxylic esters gives a mixture of four stereoisomeric hydroxy esters. Use of BINAP-Ru(II) complex catalysts allows selective production of one stereoisomer among four possible isomers. The stereoselectivity obtained by the dynamic kinetic resolution depends on facile in situ racemization of the substrates, efficient chirality recognition ability of the catalysts, and the structures of the ketonic substrates. The factors controlling the efficiency of the stereoselective hydrogenation are exptl. determined by reaction of racemic oxo esters using enantiomerically pure and racemic BINAP complexes. Quant. expression of the dynamic kinetic resolution has been made by defining the product partition coefficients (w, x, y, and z), the relative reactivities of the enantiomeric substrates (kfast/kslow), and the relative ease with which stereoinversion and hydrogenation take place (kinv/kfast). The validity of the equations has been demonstrated by the graphical exhibition of the enantioselectivity and diastereoselectivity as a function of conversion of the substrates. The experimental part of the paper was very detailed, including the reaction process of Cis-methyl 2-hydroxycyclohexanecarboxylate(cas: 936-03-8Product Details of 936-03-8)

Cis-methyl 2-hydroxycyclohexanecarboxylate(cas: 936-03-8) belongs to esters. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. Product Details of 936-03-8

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Ester – Wikipedia,
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El-Hefnawy, Mohamed E.; Alhayyani, Sultan; El-Sherbiny, Mohsen M.; Abomohra, Abd El-Fatah; Al-Harbi, Mamdouh published an article in Journal of Cleaner Production. The title of the article was 《Endogenous bioethanol production by solid-state prefermentation for enhanced crude bio-oil recovery through integrated hydrothermal liquefaction of seaweeds》.Synthetic Route of C6H10O3 The author mentioned the following in the article:

The present study evaluated the action of endogenous bioethanol produced during solid-state fermentation of Ulva spp. on subsequent hydrothermal liquefaction (HTL). HTL of raw biomass (RB) was compared with HTL of the fermented biomass after bioethanol separation (F-Aqua) and HTL of the whole fermentation broth containing the bioethanol (F-Eth). Optimization of fermentation conditions increased the ethanol yield efficiency (Yeff) and specific ethanol yield (SEY) from 23.55% and 0.120 g g-1 sugar consumed to 43.97% and 0.224 g g-1 sugar consumed, resp. TGA and FTIR anal. confirmed noticeable changes in the thermal profile and functional groups of the fermented residue with increased volatiles and lower ash content. Among different HTL treatments, F-Eth showed the highest bio-oil yield of 24.96% at 250°C, which was 37.7% and 39.0% higher than that of RB and F-Aqua, resp. In addition, hydrocarbons and esters in the bio-oil represented the dominant compounds in F-Aqua and F-Eth, altogether 28.28% and 68.58%, resp., compared to 17.96% in RB. Economic anal. for a proposed 100 ton year-1 plant confirmed that HTL of the whole fermentation broth containing endogenous bioethanol enhanced the gross energy output to 8.152 GJ ton-1, which represented 4.2-time, 51.1%, and 23.3% higher than individual bioethanol production, individual bio-oil production, and sequential bioethanol/bio-oil recovery, with the highest net annual profit of 29553 US$ compared to 23391 US$ for the sequential production In the part of experimental materials, we found many familiar compounds, such as Methyl 3-oxovalerate(cas: 30414-53-0Synthetic Route of C6H10O3)

Methyl 3-oxovalerate(cas: 30414-53-0) belongs to ketone compounds. Ketone compounds have important physiological properties. They are found in several sugars and in compounds for medicinal use, including natural and synthetic steroid hormones. Molecules of the anti-inflammatory agent cortisone contain three ketone groups.Synthetic Route of C6H10O3

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application of 1877-71-0On September 15, 2019 ,《Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents》 was published in European Journal of Medicinal Chemistry. The article was written by Gao, Tianfeng; Zhang, Congying; Shi, Xiaowei; Guo, Ran; Zhang, Kai; Gu, Jianmin; Li, Lin; Li, Shuolei; Zheng, Qianqian; Cui, Mengyu; Cui, Miao; Gao, Xingmei; Liu, Yi; Wang, Lei. The article contains the following contents:

A novel series of 6-substituted pyrrolo[2,3-d]pyrimidines with reversed amide moieties from the lead compound I (R = 4-pyridyl) were designed and synthesized as nonclassical antifolates and as potential antitumor agents. Target compounds II were successfully obtained through two sequential condensation reactions from the key intermediate 2-amino-6-(2-aminoethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one. In preliminary antiproliferation assay, all compounds demonstrated submicromolar to nanomolar inhibitory effects against KB tumor cells, whereas compounds I (R = 2-, 3-, 4-pyridyl) also exhibited nanomolar antiproliferative activities toward SW620 and A549 cells. In particular, compounds I (R = 2-, 3-, 4-pyridyl) were significantly more potent than the pos. control methotrexate (MTX) and pemetrexed (PMX) to A549 cells. The growth inhibition induced cell cycle arrest at G1-phase with S-phase suppression. Along with the results of nucleoside protection assays, inhibition assays of dihydrofolate reductase (DHFR) clearly elucidated that the intracellular target of the designed compounds was DHFR. Mol. modeling studies suggested two binding modes of the target compounds with DHFR. In the part of experimental materials, we found many familiar compounds, such as 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Application of 1877-71-0)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Application of 1877-71-0 They perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

《The shape and dynamics of deformations of viscoelastic fluids by water droplets》 was written by Seo, Dongjin; Chen, Szu-Ying; Lee, Dong Woog; Schrader, Alex M.; Ahn, Kollbe; Page, Steve; Koenig, Peter H.; Gizaw, Yonas; Israelachvili, Jacob N.. COA of Formula: C10H10O2This research focused onviscoelasticity water drop deformation polymer surface structure; Deformation from surface tension; Neumann angle; Surface tension imbalance; Wetting on soft surface. The article conveys some information:

Many studies on the deformation of soft films by liquids confirmed the increase in the radius of the deformation and the decrease in the apparent contact angle. However, due to the thinness, the dynamics of the deformation could not be observed until the thermodn. equilibrium Thus, the dynamics on thick soft materials was studied until equilibrium to contrast the effect of different interfacial energy between different soft materials and water. Therefore, we prepared two different polymeric fluids with similar rheol. by crosslinking monomers, yet with different contact angles with water. Sometime after water droplets were placed on these thick polymers, 3D profiles of the deformation were recorded. Though the effect of the surface tension was not verified, the same trend in the dynamics was observed as with thin films, except for the decrease in the radius after the initial increase. The three-phase boundaries (TPBs) were found not at the apex of the ridges formed during the transition to equilibrium By calculating the surface tensions and angles of each interface at the equilibrium, we found that the temporary imbalance among surface tensions induced the slip of the TPBs toward the center of water droplets, thus dislocating the TPBs and decreasing the radius. The experimental process involved the reaction of Benzyl acrylate(cas: 2495-35-4COA of Formula: C10H10O2)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.COA of Formula: C10H10O2

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

《Cu-Mediated Amination of (Hetero)Aryl C-H bonds with NH Azaheterocycles》 was published in Angewandte Chemie, International Edition in 2019. These research results belong to Yu, Jin-Feng; Li, Jian-Jun; Wang, Peng; Yu, Jin-Quan. Application In Synthesis of 3-(Methoxycarbonyl)benzoic acid The article mentions the following:

Direct synthesis of N-(hetero)arylated heteroarenes has been realized through Cu-mediated C-N coupling of NH azaheterocycles with aryl C-H bonds under aerobic conditions. This method features a broad scope of both heterocyclic arenes (pyridine, quinoline, pyrazole, imidazole, furan, thiophene, benzofuran, and indole) and NH azaheterocycles (imidazole, pyrazole, indole, azaindole, purine, indazole, benzimidazole, pyridone, carbazole), providing a versatile method for the synthesis of pharmaceutically important N-(hetero)arylated heteroarenes. The versatility of this reaction was further demonstrated through late-stage modification of marketed drugs and the synthesis of a key intermediate for accessing a class of angiotensin II receptor 1 antagonists. In the part of experimental materials, we found many familiar compounds, such as 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Application In Synthesis of 3-(Methoxycarbonyl)benzoic acid)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Application In Synthesis of 3-(Methoxycarbonyl)benzoic acid Polyesters are important plastics, with monomers linked by ester moieties.

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

《Catalyst-Free Deaminative Functionalizations of Primary Amines by Photoinduced Single-Electron Transfer》 was written by Wu, Jingjing; Grant, Phillip S.; Li, Xiabing; Noble, Adam; Aggarwal, Varinder K.. Related Products of 2495-35-4This research focused ontriphenyl pyridinium tetrafluoroborate photochem single electron transfer deaminative reaction; Giese reactions; deamination; electron donor-acceptor complexes; photochemistry; radical reactions. The article conveys some information:

The use of pyridinium-activated primary amines as photoactive functional groups for deaminative generation of alkyl radicals under catalyst-free conditions was described. By taking advantage of the visible light absorptivity of electron donor-acceptor complexes between Katritzky pyridinium salts and either Hantzsch ester or Et3N, photoinduced single-electron transfer could be initiated in the absence of a photocatalyst. This general reactivity platform was applied to deaminative alkylation (Giese), allylation, vinylation, alkynylation, thioetherification and hydrodeamination reactions. The mild conditions were amenable to a diverse range of primary and secondary alkyl pyridiniums and demonstrate broad functional group tolerance. After reading the article, we found that the author used Benzyl acrylate(cas: 2495-35-4Related Products of 2495-35-4)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Related Products of 2495-35-4

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

Formula: C4H7NO2SIn 2022 ,《Design, Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Thiazole-Pyrimidine Linked Amide Derivatives》 was published in Polycyclic Aromatic Compounds. The article was written by Bandaru, Chandra Mohan; Poojith, Nuthalapati; Jadav, Surender Singh; Basaveswara Rao, Mandava Venkata; Babu, K. Surendra; Sreenivasulu, Reddymasu; Alluri, Ramesh. The article contains the following contents:

A library of new amide-based thiazole-pyrimidines () was designed by considering vital pharmacophoric features of the potential multi-acting anticancer agents. The analogs were synthesized by linking with fused imidazo-pyrazole nucleus and confirmed their structures by 1H NMR, 13CNMR, and mass spectral anal. The newly designed thiazole-pyrimidine analogs were subjected to investigate against various human cancer cell lines such as A549 (lung), MCF-7 (breast), Colo-205 (colon), and A2780 (ovarian) by MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide) assay technique. The anticancer screening data suggested that, the analogs with tri/di substitution are found to have much potential than mono-substituted analogs. The and depicted maximum anti-cancer activity against all of the tested cell lines and superior than reference standard Etoposide. Furthermore, the mol. interaction anal. against different enzymic targets such as ribonucleotide reductase (RR), epidermal growth factor reductase (EGFR), APC-asef (Adenomatous Polyposis Coli (APC) directly interacts with the Rho guanine nucleotide exchange factor 4 (Asef)) protein-protein interaction interface, and ATR kinase has been carried out to find the possible binding protein. The comparative binding energies and violin plot suggested the current series of analogs as potential ATR kinase binders. The required substantial interactions of and with active site residues of ATR kinase has been discussed by comparing with lowest active analogs. In addition, the ADMET parameters of the current analogs is also provided with drug likeness and druggability scores. The experimental process involved the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Formula: C4H7NO2S

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics