Tag: 100-200

Medina, Jesus R.; Tian, Xinrong; Li, William H.; Suarez, Dominic; Mack, James F.; LaFrance, Louis; Martyr, Cuthbert; Brackley, James; Di Marco, Christina; Rivero, Ralph; Heerding, Dirk A.; McHugh, Charles; Minthorn, Elisabeth; Bhaskar, Aishwarya; Rubin, Jacob; Butticello, Michael; Carpenter, Christopher; Nartey, Eldridge N.; Berrodin, Thomas J.; Kallal, Lorena A.; Mangatt, Biju published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Cell-Based Drug Discovery: Identification and Optimization of Small Molecules that Reduce c-MYC Protein Levels in Cells》.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoate The article contains the following contents:

Elevated expression of the c-MYC oncogene is one of the most common abnormalities in human cancers. Unfortunately, efforts to identify pharmacol. inhibitors that directly target MYC have not yet yielded a drug-like mol. due to the lack of any known small mol. binding pocket in the protein, which could be exploited to disrupt MYC function. We have recently described a strategy to target MYC indirectly, where a screening effort designed to identify compounds that can rapidly decrease endogenous c-MYC protein levels in a MYC-amplified cell line led to the discovery of a compound series that phenocopies c-MYC knockdown by siRNA. Herein, we describe our medicinal chem. program that led to the discovery of potent, orally bioavailable c-MYC-reducing compounds The development of a min. pharmacophore model based on empirical structure activity relationship as well as the property-based approach used to modulate pharmacokinetics properties will be highlighted. The experimental part of the paper was very detailed, including the reaction process of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Recommanded Product: 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.Recommanded Product: Methyl 4-fluoro-3-nitrobenzoateMethyl 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

Pollack, Scott R.; Dion, Amelie published their research in Journal of Organic Chemistry in 2021. The article was titled 《Metal-free stereoselective synthesis of (E)- and (Z)-N-monosubstituted β-aminoacrylates via condensation reactions of carbamates》.Safety of tert-Butyl carbamate The article contains the following contents:

Two efficient, stereoselective methods for the preparation of (E)- or (Z)-β-aminoacrylates via acid- or base-promoted condensation reactions of carbamates are described. The base-promoted reaction is E-selective, while acid catalysis can, through the choice of solvent, selectively form E or Z. The acid-catalyzed E-selective process proceeds through a crystallization obviating the need for chromatog. purification In the part of experimental materials, we found many familiar compounds, such as tert-Butyl carbamate(cas: 4248-19-5Safety of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Safety of tert-Butyl carbamate

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

《Enantioselective synthesis of chiral α-alkynylated thiazolidones by tandem S-addition/acetalization of alkynyl imines》 was published in Organic & Biomolecular Chemistry in 2020. These research results belong to Wang, Mei-Xin; Liu, Juan; Liu, Zhen; Wang, Yingcheng; Yang, Qi-Qiong; Shan, Wenyu; Deng, Yu-Hua; Shao, Zhihui. Reference of tert-Butyl carbamate The article mentions the following:

A SPINOL-derived chiral phosphoric acid catalyzed asym. formal [2+3]-annulation of in-situ generated alkynyl imines and 1,4-dithiane-2,5-diol was developed to afford enantiopure α-alkynylated thiazolidones with up to 72% yield and 98.5 : 1.5 er. This tandem annulation involved a tandem S-addition of alkynyl imines/intramol. acetalization, followed by PDC-mediated oxidation The α-alkynylated thiazolidones facilely afforded the corresponding chiral α-alkynylated or α-alkenylated cyclic sulfoxides via further elaboration. The experimental part of the paper was very detailed, including the reaction process of tert-Butyl carbamate(cas: 4248-19-5Reference of tert-Butyl carbamate)

tert-Butyl carbamate(cas: 4248-19-5) 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).Reference of tert-Butyl carbamate

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

《The conjugation of rhodamine B enables carrier-free mitochondrial delivery of functional proteins》 was published in Organic & Biomolecular Chemistry in 2020. These research results belong to Shi, Jiayuan; Zhao, Dan; Li, Xiang; Ding, Feng; Tang, Xuemei; Liu, Nian; Huang, Hua; Liu, Changlin. Quality Control of N-tert-Butoxycarbonylhydroxylamine The article mentions the following:

The development of protein-based therapeutics faces many challenges, for example, carrier-dependence, safety concerns, endocytosis-dependence, and uncertain in vivo therapeutic outcomes. Small mols. are rarely used for intracellular organelle-targeting and disease tissue-specific carrier-independent delivery of therapeutic proteins. Here, the authors report that rhodamine B, after modification with proteins, is able to guide carrier-free delivery into mitochondria and tissue-dependent distributions of functional proteins through organic cation transporters (OCTs). The enrichment of the modified catalase in the cancer tissue efficiently suppresses xenograft human lung tumor in mice. This carrier-free delivery platform of proteins may emerge as a simple yet powerful approach for cancer treatment. The experimental part of the paper was very detailed, including the reaction process of N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Quality Control of N-tert-Butoxycarbonylhydroxylamine)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) 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.Quality Control of N-tert-Butoxycarbonylhydroxylamine

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

《Analysis of Chemical Simulants in Urine: A Useful Tool for Assessing Emergency Decontamination Efficacy in Human Volunteer Studies.》 was published in Prehospital and disaster medicine in 2020. These research results belong to James, Thomas; Collins, Samuel; Amlôt, Richard; Marczylo, Tim. Computed Properties of C8H8O3 The article mentions the following:

INTRODUCTION: To date, all human studies of mass-casualty decontamination for chemical incidents have relied on the collection and analysis of external samples, including skin and hair, to determine decontamination efficacy. The removal of a simulant contaminant from the surface of the body with the assumption that this translates to reduced systemic exposure and reduced risk of secondary contamination has been the main outcome measure of these studies. Some studies have investigated systemic exposure through urinary levels of simulant metabolites. The data obtained in these studies were confounded by high background concentrations from dietary sources. The unmetabolized simulants have never been analyzed in urine for the purposes of decontamination efficacy assessment. STUDY OBJECTIVE: Urinary simulant analysis could obviate the need to collect skin or hair samples during decontamination trials and provide a better estimate of both decontamination efficacy and systemic exposure. The study objective therefore was to determine whether gross skin contamination as part of a decontamination study would yield urine levels of simulants sufficient to evaluate systemic availability free from dietary confounders. METHODS: In this study, a gas chromatography-tandem mass spectrometry method was developed for the analysis of two chemical simulants, methyl salicylate (MeS) and benzyl salicylate (BeS), in urine. An extraction and sample clean-up method was validated, enabling quantitation of these simulants in urine. The method was then applied to urine collected over a 24-hour period following simulant application to the skin of volunteers. RESULTS: Both MeS and BeS were present in all urine samples and were significantly increased in all post-application samples. The MeS levels peaked one hour after skin application. The remaining urinary levels were variable, possibly due to additional MeS exposures such as inhalation. In contrast, the urinary excretion pattern for BeS was more typical for urinary excretion curves, increasing clearly above baseline from four hours post-dose and peaking between 12.5 and 21 hours, a pattern consistent with dermal absorption and rapid excretion. CONCLUSION: The authors propose BeS is a useful simulant for use in decontamination studies and that its measurement in urine can be used to model systemic exposures following skin application and therefore likely health consequences.Methyl Salicylate(cas: 119-36-8Computed Properties of C8H8O3) was used in this study.

Methyl Salicylate(cas: 119-36-8) has been used: as a component of clarifying solution for treating Mongolian gerbil cochlea intact for immunofluorescence analysis, as a plant elicitor to test its effect on reducing the whitefly population from tomato plants.Computed Properties of C8H8O3

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

《Volatile Organic Compounds as Insect Repellents and Plant Elicitors: an Integrated Pest Management (IPM) Strategy for Glasshouse Whitefly (Trialeurodes vaporariorum)》 was written by Conboy, Niall J. A.; McDaniel, Thomas; George, David; Ormerod, Adam; Edwards, Martin; Donohoe, Paul; Gatehouse, Angharad M. R.; Tosh, Colin R.. Category: esters-buliding-blocksThis research focused onTrialeurodes vaporariorum volatile organic compound insect repellent plant elicitor; IPM; Plant elicitor; Repellent; Tomato; VOC; Volatile organic compound; Whitefly. The article conveys some information:

The glasshouse whitefly (Trialeurodes vaporariorum Westwood) is a polyphagous arthropod pest that is of particular detriment to glasshouse grown tomato (Solanum lycopersicum) across temperate regions of the world. Control of whiteflies with synthetic pesticides has resulted in the evolution of resistant genotypes and a reduction in natural enemies, thus highlighting the need for environmentally sound control strategies. Volatile organic compounds (VOCs) offer an environmentally benign alternative to synthetic chem. sprays and this study explored the use of VOCs as insect repellents and plant defense elicitors to control whiteflies on tomato in a com. glasshouse setting. Limonene in the form of a volatile dispenser system was found to successfully repel whitefly from the target crop and increased fruit yield by 32% during a heavy whitefly infestation. Anal. of tomato herbivore induced plant volatiles (HIPVs) led us to select Me salicylate (MeSA) as the plant elicitor and application of MeSA to un-infested tomato plants was found to successfully reduce whitefly population development and increase yield by 11%, although this difference was marginally statistically significant. Combination of these two methods was also effective but whitefly abundance in combined plots was similar to the standalone limonene treatment across the course of the experiment All of the VOC based control methods we used had a neg. impact on whitefly performance, with more pronounced effects during the first few weeks of infestation. In subsequent laboratory experiments, we found elevated peroxidase (POD) activity and a significant increase in TPX1 and PR1 transcripts in MeSA treated plants. This led us to deduce that MeSA immediately induced plant defences, rather than priming them. We did however see evidence for residual priming, as plants treated with MeSA and infested with whiteflies produced significantly higher levels of POD activity than whitefly infestation alone. Despite the fact that our treatments failed to synergise, our methods can be optimized further, and the effectiveness of the standalone treatments is promising for future studies. In particular, our repellent limonene dispensers were extremely effective at deterring whiteflies and offer a low economic cost and easy to implement whitefly control option. The methods we have used here could be incorporated into current integrated pest management (IPM) systems, a sustainable approach to pest control which will be central to our efforts to manage whitefly populations under glass in the future. In addition to this study using Methyl Salicylate, there are many other studies that have used Methyl Salicylate(cas: 119-36-8Category: esters-buliding-blocks) 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.Category: esters-buliding-blocks

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

《Genotypic Variation and Phenotypic Plasticity in Gene Expression and Emissions of Herbivore-Induced Volatiles, and their Potential Tritrophic Implications, in Cranberries》 was written by De Lange, Elvira S.; Salamanca, Jordano; Polashock, James; Rodriguez-Saona, Cesar. Formula: C8H8O3This research focused onVaccinium Lymantria genotypic variation phenotypic plasticity; Gypsy moth; Indirect defenses; Methyl jasmonate; Methyl salicylate; Natural enemies; Vaccinium macrocarpon. The article conveys some information:

Herbivorous insects are important problems in cranberry (Vaccinium macrocarpon Ait.) production The use of chem. pesticides is common practice, but beneficial insects such as natural enemies of herbivores (e.g. predators and parasitoids) could be affected as well. Therefore, we studied the defensive mechanisms that cranberry plants use to combat pests, focusing on herbivore-induced plant volatiles (HIPVs), which can be used to recruit predators and parasitoids foraging for prey or hosts. The results showed that different cranberry genotypes vary in their emission of monoterpenes and sesquiterpenes but not in their expression of two genes associated with terpene biosynthesis, α-humulene/β-caryophyllene synthase and (3S,6E)-nerolidol/R-linalool synthase. Induction with Me jasmonate or herbivore (gypsy moth, Lymantria dispar L.) feeding increased the expression of these genes and emission of HIPVs. The HIPV Me salicylate (MeSA), alone or in combination with other HIPVs, increased syrphid attraction by 6-fold in the field, while (Z)-3-hexenyl acetate and MeSA repelled ladybeetles and megaspilids, resp. Linalool and β-caryophyllene elicited no behavioral responses of natural enemies. Elucidating the mechanisms of pest resistance, as well as exptl. augmenting plant defenses such as HIPVs, may contribute to the development of more sustainable pest management practices in crops, including cranberries. In addition to this study using Methyl Salicylate, there are many other studies that have used Methyl Salicylate(cas: 119-36-8Formula: C8H8O3) 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.Formula: C8H8O3

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

《Enantioselective Construction of 5-6-5 Tricyclic Lactone Framework Bearing a Quaternary Bridgehead Carbon via Rh-Catalyzed Asymmetric [2+2+2] Cycloaddition of Enediynes》 was written by Yasui, Takeshi; Nakazato, Yuya; Kurisaki, Koutarou; Yamamoto, Yoshihiko. Related Products of 36016-38-3This research focused ontricyclic cyclohexadiene lactone preparation enantioselective; enediyne cycloaddition rhodium catalyst. The article conveys some information:

Herein, a Rh-catalyzed asym. [2+2+2] cycloaddition of ene-yne-yne enediynes to generate enantio-enriched tricyclic cyclohexadienes bearing a quaternary bridgehead carbon is reported. The Rh-Phanephos complex is an appropriate catalyst for the cycloaddition of enediynes bearing an unsubstituted propiolate terminus, whereas Rh-biaryl bisphosphine catalysts, which have been widely used for asym. cycloadditions of alkynes and alkenes, are not applicable for the reaction of such enediynes. Several control experiments suggest that the reaction using the Rh-Phanephos complex exclusively proceeds via a rhodacyclopentadiene intermediate, unlike when using a Rh-biaryl bisphosphine complex that can form a rhodacyclopentadiene intermediate as well as a rhodacyclopentene intermediate in a substrate-dependent manner.N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Related Products of 36016-38-3) was used in this study.

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) 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.Related Products of 36016-38-3

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

《A simple route towards the synthesis of 1,4,5-trisubstituted 1,2,3-triazoles from primary amines and 1,3-dicarbonyl compounds under metal-free conditions》 was published in Organic & Biomolecular Chemistry in 2019. These research results belong to Guo, Ningxin; Liu, Xiufen; Xu, Hongyan; Zhou, Xi; Zhao, Huaiqing. Synthetic Route of C6H10O3 The article mentions the following:

An acetic acid-promoted approach that enabled the synthesis of 1,4,5-trisubstituted 1,2,3-triazole derivatives were achieved. This transformation employed readily available primary amines, 1,3-dicarbonyls and tosyl azide as the starting materials via a cycloaddition reaction under metal-free conditions. The reaction provideed a simple access to fully substituted 1,2,3-triazoles from com. substrates in moderate to excellent yields. The experimental part of the paper was very detailed, including the reaction process of Methyl 3-oxovalerate(cas: 30414-53-0Synthetic Route of C6H10O3)

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.Synthetic Route of C6H10O3

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

《1,2,4-Oxadiazole-Bearing Pyrazoles as Metabolically Stable Modulators of Store-Operated Calcium Entry》 was written by Aprile, Silvio; Riva, Beatrice; Bhela, Irene Preet; Cordero-Sanchez, Celia; Avino, Giulia; Genazzani, Armando A.; Serafini, Marta; Pirali, Tracey. COA of Formula: C9H8O4 And the article was included in ACS Medicinal Chemistry Letters on April 8 ,2021. The article conveys some information:

Store-operated calcium entry (SOCE) is a pivotal mechanism in calcium homeostasis, and, despite still being under investigation, its dysregulation is known to be associated with severe human disorders. SOCE modulators are therefore needed both as chem. probes and as therapeutic agents. While many small mols. have been described so far, their poor properties in terms of drug-likeness have limited their translation into the clin. practice. In this work, we describe the bioisosteric replacement of the ester moiety in pyrazole derivatives with a 1,2,4-oxadiazole ring as a means to afford a class of modulators with high metabolic stability. Moreover, among our derivatives, a compound able to increase the calcium entry was identified, further enriching the library of available SOCE activators. In addition to this study using 3-(Methoxycarbonyl)benzoic acid, there are many other studies that have used 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0COA of Formula: 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. 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