Tag: 100-200

In 2013,Ndubaku, Chudi O.; Heffron, Timothy P.; Staben, Steven T.; Baumgardner, Matthew; Blaquiere, Nicole; Bradley, Erin; Bull, Richard; Do, Steven; Dotson, Jennafer; Dudley, Danette; Edgar, Kyle A.; Friedman, Lori S.; Goldsmith, Richard; Heald, Robert A.; Kolesnikov, Aleksandr; Lee, Leslie; Lewis, Cristina; Nannini, Michelle; Nonomiya, Jim; Pang, Jodie; Price, Steve; Prior, Wei Wei; Salphati, Laurent; Sideris, Steve; Wallin, Jeffery J.; Wang, Lan; Wei, BinQing; Sampath, Deepak; Olivero, Alan G. published 《Discovery of 2-{3-[2-(1-Isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): A β-Sparing Phosphoinositide 3-Kinase Inhibitor with High Unbound Exposure and Robust in Vivo Antitumor Activity》.Journal of Medicinal Chemistry published the findings.Application In Synthesis of Ethyl 2-amino-2-thioxoacetate The information in the text is summarized as follows:

Dysfunctional signaling through the phosphoinositide 3-kinase (PI3K)/AKT/mTOR pathway leads to uncontrolled tumor proliferation. In the course of the discovery of novel benzoxepin PI3K inhibitors, we observed a strong dependency of in vivo antitumor activity on the free-drug exposure. By lowering the intrinsic clearance, we derived a set of imidazobenzoxazepin compounds that showed improved unbound drug exposure and effectively suppressed growth of tumors in a mouse xenograft model at low drug dose levels. One of these compounds, GDC-0032 (I), was progressed to clin. trials and is currently under phase I evaluation as a potential treatment for human malignancies. The experimental process involved the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Application In Synthesis of Ethyl 2-amino-2-thioxoacetate)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Application In Synthesis of Ethyl 2-amino-2-thioxoacetate

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

In 2011,Newton, Gerald L.; Buchmeier, Nancy; La Clair, James J.; Fahey, Robert C. published 《Evaluation of NTF1836 as an inhibitor of the mycothiol biosynthetic enzyme MshC in growing and non-replicating Mycobacterium tuberculosis》.Bioorganic & Medicinal Chemistry published the findings.Recommanded Product: 329-59-9 The information in the text is summarized as follows:

The mycothiol biosynthesis enzyme MshC catalyzes the ligation of cysteine with the pseudodisaccharide GlcN-Ins and has been identified as an essential enzyme in Mycobacterium tuberculosis. The authors now report on the development of NTF1836 as a micromolar inhibitor of MshC. Using com. libraries, they conducted preliminary structure-activity relationship (SAR) studies on NTF1836. NTF1836 and five structurally related compounds showed similar activity towards clin. strains of M. tuberculosis. A gram scale synthesis was developed to provide ample material for biol. studies. Using this material, the authors determined that inhibition of M. tuberculosis growth by NTF1836 was accompanied by a fall in mycothiol and an increase in GlcN-Ins consistent with the targeting of MshC. They also determined that NTF1836 kills non-replicating M. tuberculosis in the carbon starvation model of latency. The experimental part of the paper was very detailed, including the reaction process of Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Recommanded Product: 329-59-9)

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: 329-59-9

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

In 2007,Cordeiro, Alessandra; Jimeno, Maria Luisa; Maestro, Miguel A.; Camarasa, Maria-Jose; Quesada, Ernesto; San-Felix, Ana published 《Synthesis of Highly Condensed Polycyclic Carbohydrates by Reaction of a Spiro-Cyclic Enamino Sulfonate Derived from D-Xylofuranose with Bifunctional Reagents》.Journal of Organic Chemistry published the findings.HPLC of Formula: 6149-41-3 The information in the text is summarized as follows:

The appropriately substituted 5-O-tosyl derivative I, easily prepared from 1,2-O-isopropylidene-α-D-xylofuranose, serves as a useful precursor for the preparation of highly condensed cyclic carbohydrates. The synthesis involves a first cyclization of the 5-O-tosyl sugar derivative I to a highly reactive cyclic enamine, which subsequently undergoes the nucleophilic attack of a bifunctional reagent X(CH2)nZ in a regio- and stereospecific way. Finally, a spontaneous cyclization step allows the formation of a stereochem. defined extra ring, fused to the sugar backbone. The functionalization and size of this ring can be varied by the proper choice of the bifunctional reagent. X-ray diffraction anal. and intensive NMR studies with one of these carbohydrates II were performed to highlight the strained nature of these compounds The results came from multiple reactions, including the reaction of Methyl 3-hydroxypropanoate(cas: 6149-41-3HPLC of Formula: 6149-41-3)

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. HPLC of Formula: 6149-41-3

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

Qian, Xing-Kai; Zhang, Jing; Song, Pei-Fang; Zhao, Yi-Su; Ma, Hong-Ying; Jin, Qiang; Wang, Dan-Dan; Guan, Xiao-Qing; Li, Shi-Yang; Bao, XiaoZe; Zou, Li-Wei published an article in Bioorganic & Medicinal Chemistry. The title of the article was 《Discovery of pyrazolones as novel carboxylesterase 2 inhibitors that potently inhibit the adipogenesis in cells》.Safety of Methyl 3-oxovalerate The author mentioned the following in the article:

Carboxylesterase 2 (CES2) is one of the most important Phase I drug metabolizing enzymes in the carboxylesterase family. It plays crucial roles in the bioavailability of oral ester prodrugs and the therapeutic effect of some anticancer drugs such as irinotecan (CPT11) and capecitabine. In addition to the well-known roles of CES2 in xenobiotic metabolism, the enzyme also participates in endogenous metabolism and the production of lipids. In this study, we synthesized a series of pyrazolones and assayed their inhibitory effects against CES2 in vitro. Structure-activity relationship anal. of these pyrazolones (I) reveals that the introduction of 4-methylphenyl unit (R1), 4-methylbenzyl (R2) and cyclohexyl (R3) moieties are beneficial for CES2 inhibition. Guided by these SARs results, 1-cyclohexyl-4-(4-methylbenzyl)-3-p-tolyl-1H-pyrazol-5(4H)-one (27, II) was designed and synthesized. Further investigations demonstrated that the compound 27 exhibited stronger CES2 inhibition activity with a lower IC50 value (0.13μM). The inhibition kinetic study demonstrated that compound 27 inhibited the hydrolysis of CES2-fluorescein diacetate (FD) through non-competitive inhibition. In addition, the mol. docking showed that the core of pyrazolone, the cyclohexane moiety, 4-methylbenzyl and 4-methylphenyl groups in compound 27 all played important roles with the amino acid residues of CSE2. Also, compound 27 could inhibit adipocyte adipogenesis induced by mouse preadipocytes. In brief, we designed and synthesized a novel pyrazolone compound with a strong inhibitory ability on CES2 and could inhibit the adipogenesis induced by mouse preadipocytes, which can be served as a promising lead compound for the development of more potent pyrazolone-type CES2 inhibitors, and also used as a potential tool for exploring the biol. functions of CES2 in human being. In the experimental materials used by the author, we found Methyl 3-oxovalerate(cas: 30414-53-0Safety of Methyl 3-oxovalerate)

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.Safety of Methyl 3-oxovalerate

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

In 1984,Australian Journal of Chemistry included an article by Babidge, Peter J.; Massy-Westropp, Ralph A.. Computed Properties of C8H14O3. The article was titled 《New eudesmane sesquiterpenoids from Eremophila scoparia》. The information in the text is summarized as follows:

Three new eudesmane sesquiterpenoids were isolated from E. scoparia and identified as (4aR,6S,7S,8aS)-7-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one, (4aS,6S,7S,8aS)-7-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one, and (2S,3S,4aR,8aS)-3-(1-hydroxy-1-methylethyl)-5,8a-dimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl acetate. The results came from multiple reactions, including the reaction of Cis-methyl 2-hydroxycyclohexanecarboxylate(cas: 936-03-8Computed Properties of C8H14O3)

Cis-methyl 2-hydroxycyclohexanecarboxylate(cas: 936-03-8) 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.Computed Properties of C8H14O3 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. Polyesters are important plastics, with monomers linked by ester moieties.

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

Recommanded Product: Ethyl (2S)-2-amino-3,3-dimethylbutanoateOn May 31, 1997, Hiroi, Kunio; Hidaka, Akira; Sezaki, Rie; Imamura, Yumiko published an article in Chemical & Pharmaceutical Bulletin. The article was 《Asymmetric induction reactions. VII. Palladium-catalyzed asymmetric α-allylations of carbonyl compounds using chiral sulfonamides as chiral ligands》. The article mentions the following:

Palladium-catalyzed asym. α-allylations of carbonyl compounds were studied using various kinds of chiral sulfonamides derived from optically active α-amino acids as chiral ligands. Participation of the sulfonamide functionality in the palladium catalysis is discussed. After reading the article, we found that the author used Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2Recommanded Product: Ethyl (2S)-2-amino-3,3-dimethylbutanoate)

Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2) belongs to esters.Recommanded Product: Ethyl (2S)-2-amino-3,3-dimethylbutanoate They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.

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

Name: Ethyl 1-methylcyclopentanecarboxylateOn September 30, 1994 ,《Carbonylation of methylcyclopentane and cyclohexane initiated by the aprotic organic superacid CBr4·2AlBr3》 was published in Mendeleev Communications. The article was written by Bernadyuk, Stanislav Z.; Akhrem, Irena S.; Vol’pin, Mark E.. The article contains the following contents:

The aprotic organic superacid CBr4·2AlBr3 initiates carbonylation of methylcyclopentane and cyclohexane with CO at atm. pressure with formation (after EtOH treatment) of various products in high yields depending on the conditions. The products are Et 1-methylcyclopentanecarboxylate (at -45°), Et cyclohexanecarboxylate (at 0°) and 2-methylcyclohexanone (at -23°). The reaction mechanism is discussed. The results came from multiple reactions, including the reaction of Ethyl 1-methylcyclopentanecarboxylate(cas: 6553-72-6Name: Ethyl 1-methylcyclopentanecarboxylate)

Ethyl 1-methylcyclopentanecarboxylate(cas: 6553-72-6) is a member of cyclopentanes. Although cyclopentane itself doesn’t have a single highly favoured conformation, a substituent on the cyclopentane ring can upset the balance of strains thereby favouring either the envelope or the half-chair.Name: Ethyl 1-methylcyclopentanecarboxylate

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

《Oxidant-Controlled Divergent Syntheses of Pyrazoles and Pyrroles by Copper(I)-Catalyzed Oxidative Coupling of β-Enamino Esters》 was published in Asian Journal of Organic Chemistry in 2019. These research results belong to Jang, Su San; Chang, Jun Yeong; Kang, Gil Yeong; Youn, So Won. Related Products of 30414-53-0 The article mentions the following:

Copper(I)-catalyzed oxidative annulations of β-enamino esters with oxidant dependence were disclosed. These reactions offered divergent syntheses of fully substituted pyrazoles and pyrroles from a common enamine substrate through sequential C-C and N-N or C-N bond-forming reactions in the presence of nitriles as reagent or co-solvent. A mechanism involving radical intermediates generated by single-electron transfer (SET) was proposed for both processes.Methyl 3-oxovalerate(cas: 30414-53-0Related Products of 30414-53-0) was used in this study.

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.Related Products of 30414-53-0

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

《Highly Tough Hydrogels with the Body Temperature-Responsive Shape Memory Effect》 was written by Liang, Ruixue; Yu, Haojie; Wang, Li; Lin, Long; Wang, Nan; Naveed, Kaleem-ur-Rahman. Category: esters-buliding-blocksThis research focused ontough hydrogel body temperature responsive shape memory polymer; body temperature responsiveness; high mechanical performance; hydrogel; hydrogen bonds; hydrophobic interactions; shape memory effect. The article conveys some information:

Shape memory hydrogels (SMHs), a promising class of smart materials for biomedical applications, have attracted increasing research attention owing to their tissue-like water-rich network structure. However, preparing SMHs with high mech. strength and body temperature-responsiveness has proven to be an extreme challenge. This study presents a facile and scalable methodol. to prepare highly tough hydrogels with a body temperature-responsive shape memory effect based on synergetic hydrophobic interactions and hydrogen bonding. 2-Phenoxyethyl acrylate (PEA) and acrylamide were chosen as the hydrophobic monomer and the hydrophilic hydrogen bonding monomer, resp. The prepared hydrogels exhibited a maximum tensile strength of 5.1 ± 0.16 MPa with satisfactory stretchability, and the mech. strength showed a strong dependence on temperature Besides, the hydrogel with 60 mol % PEA shows an excellent body temperature-responsive shape memory behavior with almost 100% shape fixity and shape recovery. Furthermore, we applied the hydrogels as a shape memory embolization plug for simulating vascular occlusion, and the embolism performance was preliminarily explored in vitro. The experimental process involved the reaction of Benzyl acrylate(cas: 2495-35-4Category: esters-buliding-blocks)

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.Category: esters-buliding-blocks

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

Formula: C4H7NO2SIn 2009 ,《Synthesis and antioxidant activity of some thiazolidin-4-one derivatives》 was published in Monatshefte fuer Chemie. The article was written by El Nezhawy, Ahmed O. H.; Ramla, Mostafa M.; Khalifa, Nagy M.; Abdulla, Mohamed M.. The article contains the following contents:

4-Fluorobenzaldehyde was used for the preparation of 2-(4-fluorophenyl)thiazolidin-4-one derivatives which were allowed to react with chloroacetonitrile and acrylonitrile to produce 3-(2-(4-fluorophenyl)-4-oxothiazolidin-3-yl)acetonitrile and 3-(2-(4-fluorophenyl)-4-oxothiazoledin-3-yl)propanenitrile. Biol. evaluation of some of the compounds showed that many had promising antioxidant activity. In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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.Formula: C4H7NO2S

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