Tag: 100-200

In 2013,Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming published 《One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via a Multicomponent [4 + 1] Cycloaddition Reaction》.ACS Combinatorial Science published the findings.Electric Literature of C8H6FNO4 The information in the text is summarized as follows:

A one-pot, two-step synthesis of imidazo[1,2-a]benzimidazoles has been achieved by a three-component reaction of 2-aminobenzimidazoles with an aromatic aldehyde and an isocyanide. The reaction involving condensation of 2-aminobenzimidazole with an aldehyde is run under microwave activation to generate an imine intermediate under basic conditions, which then undergoes [4 + 1] cycloaddition with an isocyanide. After reading the article, we found that the author used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Electric Literature of C8H6FNO4)

Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.Electric Literature of C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.

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

In 2012,Degorce, Sebastien; Delouvrie, Benedicte; Davey, Paul R. J.; Didelot, Myriam; Germain, Herve; Harris, Craig S.; Brempt, Christine Lambert-van der; Lebraud, Honorine; Ouvry, Gilles published 《Facile, diversity-orientated one-pot synthesis of ethyl 1,5-disubstituted-1H-1,2,4-triazole-3-carboxylates》.Tetrahedron Letters published the findings.Name: Ethyl 2-amino-2-thioxoacetate The information in the text is summarized as follows:

Access to the 1,5-disubstituted-1H-1,2,4-triazole-3-carboxamide motif is quite laborious and requires forcing conditions to effect the cyclocondensation step. Herein, we report an efficient and mild one-pot protocol to access the corresponding triazolecarboxylate substructure, e.g., I, in good chem. yields with high regiocontrol. In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Name: Ethyl 2-amino-2-thioxoacetate)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Name: Ethyl 2-amino-2-thioxoacetate

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

In 2011,Bacchi, Alessia; Carcelli, Mauro; Compari, Carlotta; Fisicaro, Emilia; Pala, Nicolino; Rispoli, Gabriele; Rogolino, Dominga; Sanchez, Tino W.; Sechi, Mario; Neamati, Nouri published 《HIV-1 IN Strand Transfer Chelating Inhibitors: A Focus on Metal Binding》.Molecular Pharmaceutics published the findings.HPLC of Formula: 16982-21-1 The information in the text is summarized as follows:

Most active and selective strand transfer HIV-1 integrase (IN) inhibitors contain chelating functional groups that are crucial feature for the inhibition of the catalytic activities of the enzyme. In particular, diketo acids and their derivatives can coordinate one or two metal ions within the catalytic core of the enzyme. The present work is intended as a contribution to elucidate the mechanism of action of the HIV-IN inhibitors by studying the coordinative features of H2L1 (L-708,906), an important member of the diketo acids family of inhibitors, and H2L2, a model for S-1360, another potent IN inhibitor. Magnesium(II) and manganese(II) complexes of H2L1 and H2L2 were isolated and fully characterized in solution and in the solid state. The crystal structures of the manganese complex [Mn(HL2)2(CH3OH)2]·2CH3OH were solved by x-ray diffraction anal. Moreover, the speciation models for H2L2 with magnesium(II) and manganese(II) ions were performed and the formation constants of the complexes were measured. M(HL2)2 (M = Mg2+, Mn2+) was the most abundant species in solution at physiol. pH. All the synthesized compounds were tested for their anti-IN activity, showing good results both for the ligand and the corresponding complexes. From anal. of the speciation models and of the biol. data we can conclude that coordination of both metal cofactors could not be strictly necessary and that inhibitors can act as complexes and not only as free ligands. The experimental part of the paper was very detailed, including the reaction process of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1HPLC of Formula: 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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.HPLC of Formula: 16982-21-1

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

Li, Wanwan; Cao, Zhongqiang; Cheng, Junjie; Chen, Feiyu; Li, Shuai; Huang, Yiwei; Zheng, Long Tai; Ye, Na published an article in Medicinal Chemistry Research. The title of the article was 《Discovery of N-phenyl-1-(phenylsulfonamido)cyclopropane-1-carboxamide analogs as NLRP3 inflammasome inhibitors》.Electric Literature of C9H8O4 The author mentioned the following in the article:

Two series of novel NLRP3 inflammasome inhibitors are designed, synthesized, and evaluated in an effort to develop diversified analogs based on the N-(phenylcarbamoyl)benzenesulfonamide scaffold. SAR studies reveal that the sulfonylurea linker can tolerate chem. modifications with either simply changing over the position of carbonyl and sulfonyl group or structurally flexibly inserting a cyclopropyl group, leading to identification of several more potent and diversified NLRP3 antagonists (e.g., 9) with low nanomolar inhibitory activities. Further studies indicate that these two series of compounds with low cytotoxicity exhibited weak effects on the generation of NO and TNF-a. The findings may serve as good starting points for the development of more potent NLRP3 inflammasome inhibitors as valuable pharmacol. probes or potential drug candidates.3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Electric Literature of C9H8O4) was used in this study.

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. Esters are more polar than ethers but less polar than alcohols. Electric Literature of C9H8O4 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

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

HPLC of Formula: 1877-71-0On May 14, 2020 ,《Discovery of Peptide Boronate Derivatives as Histone Deacetylase and Proteasome Dual Inhibitors for Overcoming Bortezomib Resistance of Multiple Myeloma》 appeared in Journal of Medicinal Chemistry. The author of the article were Zhou, Yi; Liu, Xiaoting; Xue, Junxin; Liu, Lulu; Liang, Tao; Li, Wen; Yang, Xinying; Hou, Xuben; Fang, Hao. The article conveys some information:

While proteasome inhibitors such as bortezomib showed satisfactory clin. benefits in the initial treatment of multiple myeloma (MM), drug resistance and relapse are unavoidable. Recent studies suggested inhibition of histone deacetylases (HDACs) restored sensitivity of bortezomib-resistant MM. Hence, we designed dual inhibitors targeting both HDACs and proteasomes to address the resistance of bortezomib. The most potent inhibitors, ZY-2 and ZY-13 showed excellent inhibition against proteasome and good selectivity against HDACs. In particular, ZY-2 not only exhibited good antiproliferative activities on the MM cell lines RPMI-8226, U266, and KM3 (IC50 values of 6.66, 4.31, and 10.1 nM, resp.) but also showed more potent antiproliferative activities against the bortezomib-resistant MM cell line KM3/BTZ compared with bortezomib (IC50 values of 8.98 vs. 226 nM, P < 0.01) and even better than the combination of the HDAC inhibitor MS-275 and bortezomib (1:1) (IC50 values of 8.98 vs. 98.0 nM, P < 0.01). The experimental process involved the reaction of 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0HPLC of Formula: 1877-71-0)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. Esters are more polar than ethers but less polar than alcohols. HPLC of Formula: 1877-71-0 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

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

COA of Formula: C9H8O4On October 2, 2020 ,《An Enzyme Model Which Mimics Chymotrypsin and N-Terminal Hydrolases》 was published in ACS Catalysis. The article was written by Garrido-Gonzalez, Jose J.; Iglesias Aparicio, Ma Mercedes; Garcia, Miguel Martinez; Simon, Luis; Sanz, Francisca; Moran, Joaquin R.; Fuentes de Arriba, Angel L.. The article contains the following contents:

Enzymes are the most efficient and specific catalysts to date. Although they have been thoroughly studied for years, building a true enzyme mimic remains a challenging and necessary task. Here, we show how a three-dimensional geometry anal. of the key catalytic residues in natural hydrolases has been exploited to design and synthesize small-mol. artificial enzymes which mimic the active centers of chymotrypsin and N-terminal hydrolases. The optimized prototype catalyzes the methanolysis of the acyl enzyme mimic with a half-life of only 3.7 min at 20 °C, and it is also able to perform the transesterification of vinyl acetate at room temperature DFT studies and X-ray diffraction anal. of the catalyst bound to a transition state analog proves the similarity with the geometry of natural hydrolases. The experimental part of the paper was very detailed, including the reaction process of 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0COA of Formula: C9H8O4)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) belongs to esters. Esters are more polar than ethers but less polar than alcohols. COA of Formula: C9H8O4 They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols.

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

Recommanded Product: 4248-19-5In 2020 ,《An efficient one-pot synthesis of industrially valuable primary organic carbamates and N-substituted ureas by a reusable Merrifield anchored iron(II)-anthra catalyst [FeII(Anthra-Merf)] using urea as a sustainable carbonylation source》 was published in New Journal of Chemistry. The article was written by Basu, Priyanka; Dey, Tusar Kanto; Ghosh, Aniruddha; Biswas, Surajit; Khan, Aslam; Islam, Sk. Manirul. The article contains the following contents:

An efficient synthesis of primary carbamates and N-substituted ureas is explored with a newly developed heterogeneous polymer supported iron catalyst in the presence of a sustainable carbonylation source. The Merrifield anchored iron(II)-anthra catalyst [FeII(Anthra-Merf)] was synthesized by functionalization of Merrifield polymer followed by grafting of iron metal. The catalyst [FeII(Anthra-Merf)] was characterized by several techniques, like SEM, EDAX, TGA, PXRD, XPS, FTIR, CHN, AAS and UV-Vis anal. The designed polymer embedded [FeII(Anthra-Merf)] complex is a remarkably successful catalyst for the synthesis of primary organic carbamates and N-substituted ureas by using safe carbonylation agent urea with different derivatives of alcs. and amines, resp. The reported catalyst is a potential candidate towards contributing a satisfactory yield of isolated products under suitable reaction conditions. The catalyst is recyclable and almost non-leaching in nature after six runs with an insignificant drop in catalytic activity. Thus we found an economical and viable catalyst [FeII(Anthra-Merf)] for primary carbamates and N-substituted urea synthesis under moderate reaction conditions. The experimental process involved the reaction of tert-Butyl carbamate(cas: 4248-19-5Recommanded Product: 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.Recommanded Product: 4248-19-5

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

Safety of Methyl SalicylateIn 2019 ,《Benzaldehyde: an alfalfa-related compound for the spring attraction of the pest weevil Sitona humeralis (Coleoptera: Curculionidae)》 was published in Pest Management Science. The article was written by Lohonyai, Zsofia; Vuts, Jozsef; Karpati, Zsolt; Koczor, Sandor; Domingue, Michael J.; Fail, Jozsef; Birkett, Michael A.; Toth, Miklos; Imrei, Zoltan. The article contains the following contents:

Timely detection of migrating adult weevils is needed to determine when deployment of control measures becomes necessary. With the aim of developing plant volatile-based lures for Sitona spp. detection, we investigated the responses of S. humeralis to host plant-related aromatic compounds RESULTS : In olfactometer studies, both male and female S. humeralis responded pos. to the odor of alfalfa flowers, a source of aromatic volatiles. In single sensillum recordings, basiconic sensilla located on the third and fourth terminal segments of the antennal club of both sexes were found to respond to benzaldehyde at doses of 10-5 and 10-4 g, suggesting that the weevil is able to detect this compound at the peripheral sensory level. In field studies, S. humeralis was attracted to benzaldehyde in the spring, but not in the autumn. Benzaldehyde, as described in this study, may be a suitable candidate for the development of monitoring tools for S. humeralis. In addition to this study using Methyl Salicylate, there are many other studies that have used Methyl Salicylate(cas: 119-36-8Safety of Methyl Salicylate) was used in this study.

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Safety of Methyl Salicylate

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

HPLC of Formula: 4949-44-4In 2020 ,《Pyrazolyl-pyrimidones inhibit the function of human solute carrier protein SLC11A2 (hDMT1) by metal chelation》 appeared in RSC Medicinal Chemistry. The author of the article were Poirier, Marion; Pujol-Gimenez, Jonai; Manatschal, Cristina; Buhlmann, Sven; Embaby, Ahmed; Javor, Sacha; Hediger, Matthias A.; Reymond, Jean-Louis. The article conveys some information:

Solute carrier proteins (SLCs) control fluxes of ions and mols. across biol. membranes and represent an emerging class of drug targets. SLC11A2 (hDMT1) mediates intestinal iron uptake and its inhibition might be used to treat iron overload diseases such as hereditary hemochromatosis. Here we report a micromolar (IC50 = 1.1 μM) pyrazolyl-pyrimidone inhibitor of radiolabeled iron uptake in hDMT1 overexpressing HEK293 cells acting by a non-competitive mechanism, which however does not affect the electrophysiol. properties of the transporter. Isothermal titration calorimetry, competition with calcein, induced precipitation of radioactive iron and cross inhibition of the unrelated iron transporter SLC39A8 (hZIP8) indicate that inhibition is mediated by metal chelation. Mapping the chem. space of thousands of pyrazolo-pyrimidones and similar 2,2′-diazabiaryls in ChEMBL suggests that their reported activities might partly reflect metal chelation. Such metal chelating groups are not listed in pan-assay interference compounds (PAINS) but should be checked when addressing SLCs. In the experimental materials used by the author, we found Ethyl 3-oxopentanoate(cas: 4949-44-4HPLC of Formula: 4949-44-4)

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.HPLC of Formula: 4949-44-4

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

In 2022,Sharifi, Ali; Moazami, Maryam; Abaee, Mohammad Saeed; Mirzaei, Mojtaba published an article in Heterocyclic Communications. The title of the article was 《Ionic liquid-catalyzed synthesis of (1,4-benzoxazin-3-yl) malonate derivatives via cross-dehydrogenative-coupling reactions》.Recommanded Product: Diethyl 2-methylmalonate The author mentioned the following in the article:

A convenient C(sp3)-C(sp3) oxidative dehydrogenative coupling reaction of 1,4-benzoxazin-2-ones with malonate esters was developed under mild conditions to obtain the resp. ester malonates in high yields. Reactions take place in [omim]FeCl4, acting as both the solvent and the catalyst. Under [omim]Cl/FeCl3-DDQ conditions, benzoxazin-2-ones derivativescoupled with malonates to give the target mols. within 1-2 h time periods. The ionic liquid was recovered and reused in the next reactions without losing its efficiency.Diethyl 2-methylmalonate(cas: 609-08-5Recommanded Product: Diethyl 2-methylmalonate) was used in this study.

Diethyl 2-methylmalonate(cas: 609-08-5) belongs to aliphatic hydrocarbons. Aliphatic hydrocarbons belong to the most abundant fraction in crude oil. Aliphatics molecules are linear or branched open-chain structures such as n-alkanes, isoalkanes, cycloalkanes (naphthenes), terpenes and steranes.Recommanded Product: Diethyl 2-methylmalonate

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