Tag: 100-200

In 2011,Patch, Raymond J.; Searle, Lily L.; Kim, Alexander J.; De, Debyendu; Zhu, Xizhen; Askari, Hossein B.; O’Neill, John C.; Abad, Marta C.; Rentzeperis, Dionisios; Liu, Jianying; Kemmerer, Michael; Lin, Ling; Kasturi, Jyotsna; Geisler, John G.; Lenhard, James M.; Player, Mark R.; Gaul, Micheal D. published 《Identification of Diaryl Ether-Based Ligands for Estrogen-Related Receptor α as Potential Antidiabetic Agents》.Journal of Medicinal Chemistry published the findings.Computed Properties of C8H6FNO4 The information in the text is summarized as follows:

Estrogen-related receptor α (ERRα) is an orphan nuclear receptor that has been functionally implicated in the regulation of energy homeostasis. Herein is described the development of diaryl ether based thiazolidenediones, which function as selective ligands against this receptor. Series optimization provided several potent analogs that inhibit the recruitment of a coactivator peptide fragment in in vitro biochem. assays (IC50 < 150 nM) and cellular two-hybrid reporter assays against the ligand binding domain (IC50 = 1-5 μM). A cocrystal structure of the ligand-binding domain of ERRα with lead compound 29 (I) revealed the presence of a covalent interaction between the protein and ligand, which has been shown to be reversible. In diet-induced murine models of obesity and in an overt diabetic rat model, oral administration of 29 normalized insulin and circulating triglyceride levels, improved insulin sensitivity, and was body weight neutral. This provides the first demonstration of functional activities of an ERRα ligand in metabolic animal models. After reading the article, we found that the author used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Computed Properties 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.Computed Properties 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.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2009,Huang, Qingqing; Mao, Jialin; Wan, Baojie; Wang, Yuehong; Brun, Reto; Franzblau, Scott G.; Kozikowski, Alan P. published 《Searching for New Cures for Tuberculosis: Design, Synthesis, and Biological Evaluation of 2-Methylbenzothiazoles》.Journal of Medicinal Chemistry published the findings.HPLC of Formula: 16982-21-1 The information in the text is summarized as follows:

The actual development and clin. use of new therapeutics for tuberculosis have remained stagnant for years because of the complexity of the disease process, the treatment of which at present requires the administration of drug combinations over a 6 mo period. In this study, the chem. and biol. of a series of potent 5-(2-methylbenzothiazol-5-yloxymethyl)isoxazole-3-carboxamides, e.g. I [R = Me2N, 1-piperidinyl, (S)-MeO2CCH(Ph)NH, etc.] , which proved to be active against replicating Mycobacterium tuberculosis (Mtb) H37Rv, are reported. The most potent compounds I [R = (S)- or (R)-MeO2CCH(Ph)NH] were found to inhibit Mtb growth at micromolar concentrations, with MIC values of 1.4 and 1.9 μM, resp. Impressively, all active compounds were nontoxic toward Vero cells (IC50 > 128 μM). Moreover, the best of these compounds were also tested against protozoan parasites, and some of these compounds were found to show activity, especially against Plasmodium falciparum. These studies thus suggest that certain 2-methylbenzothiazole based compounds may serve as promising lead scaffolds for further elaboration as antitubercular drugs and as possible antimalaria drugs.Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1HPLC of Formula: 16982-21-1) was used in this study.

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).HPLC of Formula: 16982-21-1

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Ester – Wikipedia,
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Zhang, Xiang-Jin; Zhang, Jie; Xu, Yu-Ning; Li, Yi-Ming; Chi, Man; Yan, Yu; Wu, Rui-Xue; Zhang, Hui-Ru; Zhu, Yan-Ping published their research in Journal of Organic Chemistry on December 3 ,2021. The article was titled 《Cascade Wolff Rearrangement/Acylation: A Metal-Free and Eco-Friendly Approach for 4-Hydroxy-pyrazolo[3,4-b]pyridin-6-ones and N-Pyrazole Amides Synthesis from 5-Aminopyrazoles and α-Diazoketones》.Application of 30414-53-0 The article contains the following contents:

A highly chemoselective cascade Wolff rearrangement/acylation reaction between 5-aminopyrazoles and diazo compounds has been developed. The protocol can facilitate the switchable synthesis of 4-hydroxy-pyrazolo[3,4-b]pyridin-6-ones I (R1 = Me, Et, Ph, etc.; R2 = Ph, t-Bu, 2-naphthyl, etc.; R3 = Ph, 4-MeOC6H4, 3-thienyl, etc.) and N-pyrazole amides II (R1 = Me, t-Bu, Ph; R2 = Ph, 4-FC6H4, 2-naphthyl, etc.; R3 = Me, c-hexyl, Ph, etc.; R4 = Me, Et) with the merits of a broad substrate scope, high functional group compatibility, and green and sustainable performance manner. All reactions proceeded efficiently without any catalyst and additives (acid and base) and resulted in the release of benign N2, wherein di-Et carbonate served as a green benign solvent. In the experiment, the researchers used Methyl 3-oxovalerate(cas: 30414-53-0Application of 30414-53-0)

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.Application of 30414-53-0

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Regio- and Enantioselective Formal Hydroamination of Enamines for the Synthesis of 1,2-Diamines》 were Yu, Lu; Somfai, Peter. And the article was published in Angewandte Chemie, International Edition in 2019. COA of Formula: C7H13NO2 The author mentioned the following in the article:

The asym. formal hydroamination of enamines using a CuH catalyst is reported [e.g., enamine I + O-acylhydroxylamine II → diamine III (69%, 97:3 e.r.) in presence of (MeO)2MeSiH as hydride source, Cu(OAc)2 and (R)-DTBM-SEGPHOS]. The method provides a straightforward and efficient approach to the synthesis of chiral 1,2-dialkyl amines in good yields with high levels of enantioselectivities for a broad range of substrates, and should have significant value for the preparation of mols. bearing a 1,2-diamine motif.Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2COA of Formula: C7H13NO2) was used in this study.

Ethyl 3-(dimethylamino)acrylate(cas: 924-99-2) 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.COA of Formula: C7H13NO2

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The author of 《Pyrrolecarboxylic acids. VI. 2,3- and 2,4-pyrroledicarboxylic acids》 were Nicolaus, Rodolfo A.; Mangoni, Lorenzo. And the article was published in Gazzetta Chimica Italiana in 1956. SDS of cas: 2818-08-8 The author mentioned the following in the article:

cf. C.A. 52, 351b. 2,4-Pyrroledicarboxylic acid (I) is synthesized by the action of SO2Cl2 on 5-methyl-3-bromo-2,4-dicarbethoxypyrrole (II) to give 5-formyl-3-chloro-2,4-dicarbethoxypyrrole (III), converted by KMnO4 to the 5-carboxy-3-chloro compound (IV), brominated to the 5-bromo intermediate (V). Catalytic reduction of V gave 2,4-dicarbethoxypyrrole (VI), saponified to I. 2,3-Pyrroledicarboxylic acid (VII) is prepared by saponification of 2-carboxy-3-carbethoxypyrrole (VIII) (cf. Rinkes, C.A. 32, 33891, 66481). VII crystallizes from H2O as VII.H2O; m. (anhydrous) 225° (decomposition). 2,5-Pyrroledicarboxylic acid (IX) is prepared by the action of SO2Cl2 on 2,5-dimethylpyrrole to give the 3,4-dichloro compound (X) which, on catalytic reduction, gives IX (cf. Colacicchi, C.A. 5, 1280). The following compounds were prepared (m.p. given): I, 290° (decomposition); III, 151-2°; III phenylhydrazone, 152-3°; III 2,4-dinitrophenylhydrazone, 200-1°; IV, 180-1°; V, 143-4°; VI, 74-5°, VIII, 76-8°; IX, 265° (decomposition); X, 300°; I Me ester, 126-7°; VII Me ester, 72-3°; IX di-Me ester, 129-30°; X Me ester, 147-9°. After reading the article, we found that the author used Dimethyl 1H-pyrrole-2,3-dicarboxylate(cas: 2818-08-8SDS of cas: 2818-08-8)

Dimethyl 1H-pyrrole-2,3-dicarboxylate(cas: 2818-08-8) belongs to pyrroles. Pyrroles are components of more complex macrocycles, including the porphyrinogens and products derived therefrom, including porphyrins of heme, the chlorins, bacteriochlorins, and chlorophylls. Porphobilinogen, a trisubstituted pyrrole, is the biosynthetic precursor to many natural products such as heme.SDS of cas: 2818-08-8

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Serafini, Marta; Cordero-Sanchez, Celia; Di Paola, Rosanna; Bhela, Irene P.; Aprile, Silvio; Purghe, Beatrice; Fusco, Roberta; Cuzzocrea, Salvatore; Genazzani, Armando A.; Riva, Beatrice; Pirali, Tracey published their research in Journal of Medicinal Chemistry on December 10 ,2020. The article was titled 《Store-Operated Calcium Entry as a Therapeutic Target in Acute Pancreatitis: Discovery and Development of Drug-Like SOCE Inhibitors》.Category: esters-buliding-blocks The article contains the following contents:

Store-operated calcium entry (SOCE) is important in the maintenance of calcium homeostasis and alterations in this mechanism are responsible for several pathol. conditions, including acute pancreatitis. Since the discovery of SOCE, many inhibitors have been identified and extensively used as chem. probes to better elucidate the role played by this cellular mechanism. Nevertheless, only a few have demonstrated drug-like properties so far. Here, we report a class of biphenyl triazoles among which stands out a lead compound, 34, that is endowed with an inhibitory activity at nanomolar concentrations, suitable pharmacokinetic properties, and in vivo efficacy in a mouse model of acute pancreatitis. The experimental process involved the reaction of 3-(Methoxycarbonyl)benzoic acid(cas: 1877-71-0Category: esters-buliding-blocks)

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.Category: esters-buliding-blocks 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.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In 2017,Chemistry – A European Journal included an article by Czyz, Milena L.; Lupton, David W.; Polyzos, Anastasios. HPLC of Formula: 6553-72-6. The article was titled 《Auxiliary-Directed C(sp3)-H Arylation by Synergistic Photoredox and Palladium Catalysis》. The information in the text is summarized as follows:

Herein we describe the auxiliary-directed arylation of unactivated C(sp3)-H bonds with aryldiazonium salts, which proceeds under synergistic photoredox and palladium catalysis. The site-selective arylation of aliphatic amides with α-quaternary centers is achieved with high selectivity for β-Me C(sp3)-H bonds to produce arylated products I [R = Me, Et, n-Pr, etc.; R1 = Me, Et, n-Pr, (CH2)2Ph, (CH2)3Cl, etc.; Ar = Ph, 4-MeOC6H4, 4-MeC6H4, 4-ClC6H4, etc.]. This operationally simple method is compatible with carbocyclic amides, a range of aryldiazonium salts and proceeds at ambient conditions. In the part of experimental materials, we found many familiar compounds, such as Ethyl 1-methylcyclopentanecarboxylate(cas: 6553-72-6HPLC of Formula: 6553-72-6)

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.HPLC of Formula: 6553-72-6

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

COA of Formula: C8H14O3On March 31, 2014, Gaudin, Jean-Marc published an article in Flavour and Fragrance Journal. The article was 《The quest for odorants having salicylate notes》. The article mentions the following:

We describe the synthesis and sensory characterization of a series of compounds which we anticipated would possess the olfactory notes of salicylates. We explored carba-analogs, cyclic β-keto esters and cyclic β-diketones as salicylate analogs. Applying the simple concept of three-dimensional structure similarity was very fruitful. Salicylate carba-analogs and β-keto esters, especially compounds 5, 7 and 10 for the first series and 27 and 28 for the second series, proved to be the most interesting type of compounds For example, 1-(2-hydroxyphenyl)-3-phenyl-1-propanone (10), which can be found in nature, is nicely diffusive and has an excellent olfactory profile with an interesting dual floral-animal note. In general, these compounds may offer a first credible alternative to the popular salicylates. Copyright © 2013 John Wiley & Sons, Ltd. After reading the article, we found that the author used Cis-methyl 2-hydroxycyclohexanecarboxylate(cas: 936-03-8COA of Formula: 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.COA of Formula: 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.

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

Related Products of 119-36-8In 2019 ,《A salicylic acid carboxyl methyltransferase-like gene LcSAMT from Lycium chinense, negatively regulates the drought response in transgenic tobacco》 was published in Environmental and Experimental Botany. The article was written by Wang, Gang; Li, Qian; Wang, Chang; Jin, Chao; Ji, Jing; Guan, Chunfeng. The article contains the following contents:

Drought is the main environmental factor which limits growth, photosynthesis and yield of agricultural crops worldwide. Salicylic acid (SA) is a phenolic compound involved in plant growth and development. Salicylic acid carboxyl methyltransferase (SAMT) can catalyze the methylation of SA with S-adenosyl-L-methionine as the Me donor to form Me salicylate (MeSA). However, the relations between SAMT and drought tolerance in plants are largely unknown. In this study, a SAMT gene, LcSAMT, was isolated from Lycium chinense and characterized. Escherichia coli expressed LcSAMT was found to function as salicylic acid methyltransferase using in vitro enzyme assays. The expression of LcSAMT gene was observed to be elevated in L. chinense under drought stress treatment. The overexpression of LcSAMT gene markedly enhanced the MeSA content and reduced the accumulation of SA in the transgenic tobacco plants. The conversion of MeSA from SA led to the depletion of the free SA pool. The overexpression of LcSAMT gene in tobacco significantly increased sensitivity of transgenic plant to drought stress, as measured by morphol. and physiol. factors such as leaf photosynthetic rate and chlorophyll content, which might be due to the decreased SA accumulation. The increased accumulation of ROS, elevated MDA levels, reduced proline contents and lowered expression of APX, CAT and SOD genes were also observed in the LcSAMT transgenic tobacco plants under drought stress, which means that the LcSAMT-overexpressing transgenic tobacco plants had decreased resistance to oxidative stress in comparison with control plants under drought stress. These results thus suggested that LcSAMT responded to drought stress might through the regulation of ROS accumulation in plants. Furthermore, LcSAMT-overexpressing transgenic tobacco plants displayed decreased ABA accumulation and reduced transcript expression of NtNCED1 and NtRD22 genes. Therefore, the increased sensitivity of transgenic plants overexpressing LcSAMT gene to drought stress might also through an ABA-dependent pathway. After reading the article, we found that the author used Methyl Salicylate(cas: 119-36-8Related Products of 119-36-8)

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.Related Products of 119-36-8

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application In Synthesis of Methyl 4-fluoro-3-nitrobenzoateIn 2017 ,《Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases》 was published in Journal of Medicinal Chemistry. The article was written by Harris, Philip A.; Berger, Scott B.; Jeong, Jae U.; Nagilla, Rakesh; Bandyopadhyay, Deepak; Campobasso, Nino; Capriotti, Carol A.; Cox, Julie A.; Dare, Lauren; Dong, Xiaoyang; Eidam, Patrick M.; Finger, Joshua N.; Hoffman, Sandra J.; Kang, James; Kasparcova, Viera; King, Bryan W.; Lehr, Ruth; Lan, Yunfeng; Leister, Lara K.; Lich, John D.; MacDonald, Thomas T.; Miller, Nathan A.; Ouellette, Michael T.; Pao, Christina S.; Rahman, Attiq; Reilly, Michael A.; Rendina, Alan R.; Rivera, Elizabeth J.; Schaeffer, Michelle C.; Sehon, Clark A.; Singhaus, Robert R.; Sun, Helen H.; Swift, Barbara A.; Totoritis, Rachel D.; Vossenkamper, Anna; Ward, Paris; Wisnoski, David D.; Zhang, Daohua; Marquis, Robert W.; Gough, Peter J.; Bertin, John. The article contains the following contents:

RIP1 regulates necroptosis and inflammation and may play an important role in contributing to a variety of human pathologies, including immune-mediated inflammatory diseases. Small-mol. inhibitors of RIP1 kinase that are suitable for advancement into the clinic have yet to be described. Herein, the authors report the lead optimization of a benzoxazepinone hit from a DNA-encoded library and the discovery and profile of clin. candidate GSK2982772 (compound I), currently in phase 2a clin. studies for psoriasis, rheumatoid arthritis, and ulcerative colitis. Compound I potently binds to RIP1 with exquisite kinase specificity and has excellent activity in blocking many TNF-dependent cellular responses. Highlighting its potential as a novel anti-inflammatory agent, the inhibitor was also able to reduce spontaneous production of cytokines from human ulcerative colitis explants. The highly favorable physicochem. and ADMET properties of I, combined with high potency, led to a predicted low oral dose in humans. In the experiment, the researchers used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9Application In Synthesis 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.Application In Synthesis of Methyl 4-fluoro-3-nitrobenzoate

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