Tag: 100-200

Hu, Lijun; Ren, Qiang; Deng, Liming; Zhou, Zongtao; Cai, Zongyu; Wang, Bin; Li, Zheng published an article on February 5 ,2021. The article was titled 《Design, synthesis, and biological studies of novel 3-benzamidobenzoic acid derivatives as farnesoid X receptor partial agonist》, and you may find the article in European Journal of Medicinal Chemistry.Name: 3-(Methoxycarbonyl)benzoic acid The information in the text is summarized as follows:

Farnesoid X receptor (FXR), a bile acid-activated nuclear receptor, regulates the metabolism of bile acid and lipids as well as maintains the stability of internal environment. FXR was considered as a therapeutic target of liver disorders, such as drug-induced liver injury, fatty liver and cholestasis. The previous reported FXR partial agonist I was a suitable lead compound in terms of its high potent and low mol. size, while the docking study of compound I suggested a large unoccupied hydrophobic pocket, which might be provided more possibility of structure-activity relationship (SAR) study. In this study, we have performed comprehensive SAR and mol. modeling studies based on lead compound I. All of these efforts resulted in the identification of a novel series of FXR partial agonists. In this series, compound II revealed the best activity and strong interaction with binding pocket of FXR. Moreover, compound II protected mice against acetaminophen-induced hepatotoxicity by the regulation of FXR-related gene expression and improving antioxidant capacity. In summary, these results suggest that compound II is a promising FXR partial agonist suitable for further investigation. In the part of experimental materials, we found many familiar compounds, such as 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Name: 3-(Methoxycarbonyl)benzoic acid)

3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0) 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. Name: 3-(Methoxycarbonyl)benzoic acid

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

SDS of cas: 924-99-2On October 12, 2021 ,《Synthesis of quinolone antibiotic analogues: a multistep synthetic chemistry experiment for undergraduates》 was published in Journal of Chemical Education. The article was written by Bailie, Alexandra E.; Nortcliffe, Andrew. The article contains the following contents:

A multistep synthesis of quinolone antibiotic analogs was developed as a laboratory experiment for intermediate/advanced undergraduate students. Students can synthesize a range of desfluoroenoxacin analogs via a five-step sequence. The experiment includes a range of key practical laboratory techniques including thin-layer chromatog. (TLC), liquid-liquid extraction, trituration, recrystallization and the characterization of compounds by IR and NMR spectroscopy. The experiment provides an opportunity for students to carry out fundamental organic chem. transformations from the curriculum such as the preparation of acyl chlorides, 1,4-conjugate addition-elimination, heterocycle synthesis, nucleophilic aromatic substitution and ester hydrolysis. The five-step sequence does not require column chromatog. and can be adapted to a range of laboratory settings. In the experiment, the researchers used Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2SDS of cas: 924-99-2)

Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2) 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.SDS of cas: 924-99-2

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

Related Products of 924-99-2On October 1, 2021 ,《RTOG-0129 risk groups are reproducible in a prospective multicenter heterogeneously treated cohort》 was published in Cancer (Hoboken, NJ, United States). The article was written by Fakhry, Carole; Tewari, Sakshi R.; Zhang, Lisa; Windon, Melina J.; Bigelow, Elaine O.; Drake, Virginia E.; Rooper, Lisa M.; Troy, Tanya; Ha, Patrick; Miles, Brett A.; Mydlarz, Wojciech K.; Eisele, David W.; D’Souza, Gypsyamber. The article contains the following contents:

Recursive partitioning anal. (RPA) from the Radiation Therapy Oncol. Group (RTOG)-0129 has identified a low-risk group of patients with oropharynx cancer (OPC) who might benefit from therapeutic de-intensification. These risk groups have not yet been reproduced in an independent cohort treated heterogeneously. Therefore, the objective of this anal. was to validate the RPA risk groups and examine the prognostic impact of novel factors. Patients with OPC were enrolled in a prospective study at 3 academic medical centers from 2013 to 2018. Medical record abstraction was used to ascertain clin. variables including staging and survival according to the 7th edition of the American Joint Committee on Cancer (AJCC) Cancer Staging Manual. Human papillomavirus-pos. tumor status was determined by p16 immunohistochem. and/or HPV RNA in situ hybridization. Kaplan-Meier and log-rank methods were used to compare survival. Cox proportional hazards were used to generate univariate and multivariable hazard ratios (HRs). Median follow-up time was 3.2 years. The low-, intermediate-, and high-risk groups had significant differences in 2-yr overall survival (OS, 99.1%; 95% CI, 94.4%-99.9% vs OS, 93.0%; 95% CI, 74.7%-98.2% vs OS, 80.0%; 95% CI, 40.9%-94.6%; Poverall = .0001) and 2-yr progression-free survival (PFS, 97.5%; 95% CI, 92.4%-99.2% vs PFS, 89.3%; 95% CI, 70.3%-96.4% vs PFS, 80.0%; 95% CI, 40.9%-94.6%; Poverall < .002). After adjustment for age, sex, and level of educational attainment, OS and PFS were significantly lower for the intermediate- (OS adjusted hazard ratio [aHR], 5.0; 95% CI, 1.0-23.0; PFS aHR, 3.4; 95% CI, 1.0-11.5), and high- (OS aHR, 7.3; 95% CI, 1.4-39; PFS aHR, 5.0; 95% CI, 1.2-21.6) risk groups compared with the low-risk group. Lower education was also independently significantly associated with worse OS (aHR, 8.9; 95% CI, 1.8-44.3) and PFS (aHR, 3.1; 95% CI, 1.0-9.6). In patients with OPC, the RTOG-0129 RPA model is associated with OS and PFS in a heterogeneously treated cohort. In the experiment, the researchers used Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2Related Products of 924-99-2)

Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.Related Products of 924-99-2

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

Application In Synthesis of 3-(Methoxycarbonyl)benzoic acidOn November 12, 2020 ,《Identification of 2,4-Disubstituted Imidazopyridines as Hemozoin Formation Inhibitors with Fast-Killing Kinetics and In Vivo Efficacy in the Plasmodium falciparum NSG Mouse Model》 appeared in Journal of Medicinal Chemistry. The author of the article were Horatscheck, Andre; Andrijevic, Ana; Nchinda, Aloysius T.; Le Manach, Claire; Paquet, Tanya; Khonde, Lutete Peguy; Dam, Jean; Pawar, Kailash; Taylor, Dale; Lawrence, Nina; Brunschwig, Christel; Gibhard, Liezl; Njoroge, Mathew; Reader, Janette; van der Watt, Mariette; Wicht, Kathryn; de Sousa, Ana Carolina C.; Okombo, John; Maepa, Keletso; Egan, Timothy J.; Birkholtz, Lyn-Marie; Basarab, Gregory S.; Wittlin, Sergio; Fish, Paul V.; Street, Leslie J.; Duffy, James; Chibale, Kelly. The article conveys some information:

A series of 2,4-disubstituted imidazopyridines, originating from a SoftFocus Kinase library, was identified from a high throughput phenotypic screen against the human malaria parasite Plasmodium falciparum. Hit compounds showed moderate asexual blood stage activity. During lead optimization, several issues were flagged such as cross-resistance against the multidrug-resistant K1 strain, in vitro cytotoxicity, and cardiotoxicity and were addressed through structure-activity and structure-property relationship studies. Pharmacokinetic properties were assessed in mice for compounds showing desirable in vitro activity, a selectivity window over cytotoxicity, and microsomal metabolic stability. Frontrunner compound 37(I) showed good exposure in mice combined with good in vitro activity against the malaria parasite, which translated into in vivo efficacy in the P. falciparum NOD-scid IL-2Rγnull (NSG) mouse model. Preliminary mechanistic studies suggest inhibition of hemozoin formation as a contributing mode of action. In the experiment, the researchers used many compounds, for example, 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

《Three Component Divergent Reactions: Base-Controlled Amphiphilic Synthesis of Benzimidazole-Linked Thiazetidines and Fused Thiadiazines》 was written by Selvaraju, Manikandan; Dhole, Sandip; Sun, Chung-Ming. Safety of Methyl 4-fluoro-3-nitrobenzoateThis research focused onthree component divergent reaction; base controlled amphiphilic synthesis benzimidazole linked thiazetidine thiadiazine. The article conveys some information:

A divergent reaction of 2-aminobenzimidazole with isothiocyanates and dihalomethanes has been developed for the selective synthesis of benzoimidazothiazetidine and benzoimidazothiadiazine. A single-pot reaction of 2-aminobenzimidazole in the presence of sodium hydride delivers benzoimidazothiazetidine, whereas triethylamine promotes the formation of benzoimidazothiadiazine via a sequential stepwise fashion. The reaction sequence involves the initial formation of thiourea followed by regioselective nucleophilic addition and intramol. ring-closing with dihalo electrophiles. The observed regioselectivity of this reaction is governed by the nature of bases and the reaction sequence. In the experiment, the researchers used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Safety of Methyl 4-fluoro-3-nitrobenzoate)

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.Safety of Methyl 4-fluoro-3-nitrobenzoate

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

《Synthesis of some aromatic and aliphatic esters using WO3/ZrO2 solid acid catalyst under solvent free conditions》 was written by Guguloth, Vijaya Charan; Battu, Satyanarayana. Recommanded Product: 403-33-8This research focused ontungsten trioxide impregnate zirconium dioxide preparation surface area; alc carboxylic acid heterogeneous catalyst esterification green chem; carboxylic acid ester preparation. The article conveys some information:

A simple method was delineated for the synthesis of substituted ester products in superior yields by esterification reaction under solvent unbound condition using tungsten upgraded ZrO2 solid acid catalyst at 353 K. The WO3/ZrO2 catalyst was prepared by using impregnation method followed by calcination at 923 K over a period of 6 h in air atm. SEM, XRD, FTIR, and BET surface area techniques were used to categorize this catalyst. Zirconia has both acidic and basic possessions which was changed by incorporating suitable promoter atom like tungsten which in turn increases the surface area thereby enhancing the surface acidity. Impregnation of W6+ ions exhibited a strong influence on phase modification of zirconia from thermodynamically solid monoclinic to metastable tetragonal phase. Amalgamation of promoter W6+ will stabilize tetragonal phase which was active in catalyzing reactions. In esterification reaction WO3/ZrO2 catalyst was found to be stable, efficient and environmental friendly, effortlessly recovered by filtration, excellent yield of product and it was reusable efficiently. In addition to this study using Methyl 4-fluorobenzoate, there are many other studies that have used Methyl 4-fluorobenzoate(cas: 403-33-8Recommanded Product: 403-33-8) was used in this study.

Methyl 4-fluorobenzoate(cas: 403-33-8) can be used in the synthesis of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH2-substituted benzyl moiety.Recommanded Product: 403-33-8

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

《Quantifying UV/EB dual cure for successful mitigation of oxygen inhibition and light attenuation》 was written by Thiher, Nicole L. K.; Schissel, Sage M.; Jessop, Julie L. P.. Electric Literature of C10H10O2This research focused onUV electron beam dual curing acrylate polymerization oxygen inhibition. The article conveys some information:

Industrial electron-beam (EB) polymerizations are affected by oxygen inhibition, which is typically mitigated using nitrogen inertization. However, continuous nitrogen flow is expensive, and it is desirable to identify a cheaper method to overcome oxygen inhibition. Hybrid UV/EB processing was investigated as a means to overcome oxygen inhibition typically associated with EB polymerization while addressing the depth of penetration issues typically associated with photopolymerization The depth of the oxygen inhibition layer was quantified using confocal Raman microscopy, and the effects of hybrid processing on phys. properties were investigated using dynamic mech. anal. UV/EB hybrid processing was shown to successfully overcome oxygen inhibition while retaining depth of cure in pigmented samples. In the experiment, the researchers used many compounds, for example, Benzyl acrylate(cas: 2495-35-4Electric Literature of 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.Electric Literature of C10H10O2

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

《Chiral Spirocyclic Phosphoric Acid-Catalyzed Synthesis of 4-Alkyl-3,4-dihydropyrimidin-2(1H)-one Derivatives by Asymmetric Biginelli Reactions》 was written by Guo, Yongbiao; Gao, Zhenhua; Wang, Kang; Li, Junchen; Bi, Xiaojing; Guo, Lei; Liu, Haibo; Shi, Enxue; Xiao, Junhua. Application of 30414-53-0 And the article was included in Asian Journal of Organic Chemistry on April 30 ,2020. The article conveys some information:

A chiral spirocyclic phosphoric acid-catalyzed asym. Biginelli reaction based on aliphatic aldehydes was realized for the synthesis of biol. important and synthetically useful 4-alkyl-3,4-dihydropyrimidin-2-(1H)-one (4-alkyl-DHPM) skeletons I [R = Et, n-Bu, n-heptyl, etc.; R1 = Me, Et, t-Bu, etc.; R2 = Me, Et] in good yield and with high levels of enantioinduction. The utility of this transformation was further demonstrated by direct thionation and C-C/C-N bond construction to provide a series of 4-alkyl-DHPMs derivatives I without any loss of optical activity, providing streamlined access to the formal synthesis of Batzelladine A. In the part of experimental materials, we found many familiar compounds, such as Methyl 3-oxovalerate(cas: 30414-53-0Application of 30414-53-0)

Methyl 3-oxovalerate(cas: 30414-53-0) 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.Application of 30414-53-0

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

Dragovich, Peter S.; Pillow, Thomas H.; Blake, Robert A.; Sadowsky, Jack D.; Adaligil, Emel; Adhikari, Pragya; Bhakta, Sunil; Blaquiere, Nicole; Chen, Jinhua; dela Cruz-Chuh, Josefa; Gascoigne, Karen E.; Hartman, Steven J.; He, Mingtao; Kaufman, Susan; Kleinheinz, Tracy; Kozak, Katherine R.; Liu, Liang; Liu, Liling; Liu, Qi; Lu, Ying; Meng, Fanwei; Mulvihill, Melinda M.; O′Donohue, Aimee; Rowntree, Rebecca K.; Staben, Leanna R.; Staben, Steven T.; Wai, John; Wang, Jian; Wei, BinQing; Wilson, Catherine; Xin, Jianfeng; Xu, Zijin; Yao, Hui; Zhang, Donglu; Zhang, Hongyan; Zhou, Hao; Zhu, Xiaoyu published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 1: Exploration of Antibody Linker, Payload Loading, and Payload Molecular Properties》.Product Details of 4248-19-5 The article contains the following contents:

The biol. and medicinal impacts of proteolysis-targeting chimeras (PROTACs) and related chimeric mols. that effect intracellular degradation of target proteins via ubiquitin ligase-mediated ubiquitination continue to grow. However, these chimeric entities are relatively large compounds that often possess mol. characteristics, which may compromise oral bioavailability, solubility, and/or in vivo pharmacokinetic properties. We therefore explored the conjugation of such mols. to monoclonal antibodies using technologies originally developed for cytotoxic payloads so as to provide alternate delivery options for these novel agents. In this report, we describe the first phase of our systematic development of antibody-drug conjugates (ADCs) derived from bromodomain-containing protein 4 (BRD4)-targeting chimeric degrader entities. We demonstrate the antigen-dependent delivery of the degrader payloads to PC3-S1 prostate cancer cells along with related impacts on MYC transcription and intracellular BRD4 levels. These experiments culminate with the identification of one degrader conjugate, which exhibits antigen-dependent antiproliferation effects in LNCaP prostate cancer cells. In the experiment, the researchers used tert-Butyl carbamate(cas: 4248-19-5Product Details of 4248-19-5)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Product Details of 4248-19-5

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

《Synthesis and biological evaluation of panaxatriol derivatives against myocardial ischemia/reperfusion injury in the rat》 was written by Wu, Qiong; Wang, Ruiying; Shi, Yang; Li, Wenchao; Li, Meng; Chen, Peng; Pan, Bowen; Wang, Qing; Li, Caifeng; Wang, Jianbing; Sun, Guibo; Sun, Xiaobo; Fu, Hongzheng. Safety of Ethyl 2-amino-2-thioxoacetate And the article was included in European Journal of Medicinal Chemistry in 2020. The article conveys some information:

Panaxatriol (PT) is a natural product derived from ginseng that possesses cardioprotective effects in isolated rat hearts. To develop more potent therapeutic agents against myocardial ischemia/reperfusion (MI/R) injury from natural products, a novel series of heterocycle ring-fused panaxatriol derivatives were designed and synthesized. In vitro results showed that approx. half of them exhibited increased cytoprotective activity compared with PT in a cardiomyocyte model of oxygen-glucose deprivation and reperfusion (OGD/R) injury. Furthermore, the in vitro activity of the representative derivative, isoxazole derivative I, was also confirmed in a rat model of MI/R injury. In vivo results showed that I can markedly reduce myocardial infarction size, decrease circulating cardiac troponin I (cTnI) leakage, and alleviate cardiac tissue damage in the rats. Therefore, these findings provide the basis for further development of novel anti-MI/R injury agents. In addition to this study using Ethyl 2-amino-2-thioxoacetate, there are many other studies that have used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Safety of Ethyl 2-amino-2-thioxoacetate) was used in this study.

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Safety of Ethyl 2-amino-2-thioxoacetate

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