Tag: 100-200

In 2019,Organic & Biomolecular Chemistry included an article by Fang, Yuanding; Zhao, Rong; Yao, Yuan; Liu, Yang; Chang, Denghu; Yao, Ming; Shi, Lei. Recommanded Product: 2-Hydroxyphenylboronic acid. The article was titled 《Trichloroacetonitrile as an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds》. The information in the text is summarized as follows:

A metal-free and base-free Cl3CCN mediated method was developed for the ipso-hydroxylation of aryl boronic acids to their corresponding phenols which was promoted by a key unstable Lewis adduct intermediate. This transformation was broad functional group tolerance and late-stage functionalization was successful as well. After simple investigation, two pathways (radical/ionic mechanism) were suggested and the beneficial action of blue light needs to be further studied. In the experimental materials used by the author, we found 2-Hydroxyphenylboronic acid(cas: 89466-08-0Recommanded Product: 2-Hydroxyphenylboronic acid)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Recommanded Product: 2-Hydroxyphenylboronic acid

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2018,Bioorganic & Medicinal Chemistry included an article by Hei, Yuan-Yuan; Shen, Ying; Wang, Jin; Zhang, Hao; Zhao, Hong-Yi; Xin, Minhang; Cao, Yong-Xiao; Li, Yan; Zhang, San-Qi. Name: trans-4-Aminocyclohexanol. The article was titled 《Synthesis and evaluation of 2,9-disubstituted 8-phenylthio/phenylsulfinyl-9H-purine as new EGFR inhibitors》. The information in the text is summarized as follows:

In present study, we described the synthesis and biol. evaluation of a new class of EGFR inhibitors containing 2,9-disubstituted 8-phenylthio/phenylsulfinyl-9H-purine scaffold. Thirty-one compounds were synthesized. Among them, compound I displayed the IC50 of 29.4 nM against HCC827 cell line and 1.9 nM against EGFRL858R. Compound II showed moderate inhibitory activity against EGFRL858R/T790M/C797S (IC50 = 114 nM). Western bolt assay suggested that compound I significantly inhibited EGFR phosphorylation. In vivo test, compound I remarkably exhibited inhibitory effect on tumor growth at 5.0 mg/kg by oral administration in established nude mouse HCC827 xenograft model. These results indicate that the 2,9-disubstituted 8-phenylsulfinyl/phenylsulfinyl-9H-purine derivatives can act as potent EGFR(L858R) inhibitors and effective anticancer agents. Addnl., optimization of compound C12 may result in discovering the fourth-generation EGFR-TKIs. In the experiment, the researchers used many compounds, for example, trans-4-Aminocyclohexanol(cas: 27489-62-9Name: trans-4-Aminocyclohexanol)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Name: trans-4-Aminocyclohexanol

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Alcohol – Wikipedia,
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Application of 27489-62-9In 2021 ,《Template-Hopping Approach Leads to Potent, Selective, and Highly Soluble Bromo and Extraterminal Domain (BET) Second Bromodomain (BD2) Inhibitors》 appeared in Journal of Medicinal Chemistry. The author of the article were Aylott, Helen E.; Atkinson, Stephen J.; Bamborough, Paul; Bassil, Anna; Chung, Chun-wa; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Messenger, Cassie; Mitchell, Darren; Phillipou, Alexander; Preston, Alex; Prinjha, Rab K.; Rianjongdee, Francesco; Rioja, Inmaculada; Seal, Jonathan T.; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H.. The article conveys some information:

A number of reports have recently been published describing the discovery and optimization of bromo and extraterminal inhibitors which are selective for the second bromodomain (BD2); these include our own work toward GSK046 and GSK620. This paper describes our approach to mitigating the genotoxicity risk of GSK046 by replacement of the acetamide functionality with a heterocyclic ring. This was followed by a template-hopping and hybridization approach, guided by structure-based drug design, to incorporate learnings from other BD2-selective series, optimize the vector for the amide region, and explore the ZA cleft, leading to the identification of potent, selective, and bioavailable compounds GSK452, GSK737, and GSK217. The experimental process involved the reaction of trans-4-Aminocyclohexanol(cas: 27489-62-9Application of 27489-62-9)

trans-4-Aminocyclohexanol(cas: 27489-62-9) 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.Application of 27489-62-9

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Alcohol – Wikipedia,
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SDS of cas: 26153-38-8In 2020 ,《Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Lidia, Ciccone; Nencetti, Susanna; Nicolo, Tonali; Carole, Fruchart-Gaillard; William, Shepard; Elisa, Nuti; Caterina, Camodeca; Armando, Rossello; Orlandini, Elisabetta. The article conveys some information:

Transthyretin (TTR) is a ss-sheet-rich homotetrameric protein that transports thyroxine (T4) and retinol both in plasma and in cerebrospinal fluid. TTR also interacts with amyloid-β, playing a protective role in Alzheimer′s disease. Dissociation of the native transthyretin (TTR) tetramer is widely accepted as the critical step in TTR amyloids fibrillogenesis, and is responsible for extracellular deposition of amyloid fibrils. Small mols., able to bind in T4 binding sites and stabilize the TTR tetramer, are interesting tools to treat and prevent systemic ATTR amyloidosis. We report here the synthesis, in vitro evaluation and three-dimensional crystallog. analyses of new monoaryl-derivatives in complex with TTR. Of the derivatives reported here, the best inhibitor of TTR fibrillogenesis, 1d, exhibits an activity similar to diflunisal. In the experiment, the researchers used 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8SDS of cas: 26153-38-8)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.SDS of cas: 26153-38-8

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Formula: C3H8ClNOIn 2012 ,《Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions》 appeared in Journal of Medicinal Chemistry. The author of the article were Heald, Robert A.; Jackson, Philip; Savy, Pascal; Jones, Mark; Gancia, Emanuela; Burton, Brenda; Newman, Richard; Boggs, Jason; Chan, Emily; Chan, Jocelyn; Choo, Edna; Merchant, Mark; Rudewicz, Patrick; Ultsch, Mark; Wiesmann, Christian; Yue, Qin; Belvin, Marcia; Price, Steve. The article conveys some information:

Using structure-based design, two novel series of highly potent biaryl amine mitogen-activated protein kinase kinase (MEK) inhibitors have been discovered. These series contain an H-bond acceptor, in a shifted position compared with previously disclosed compounds, and an adjacent H-bond donor, resulting in a bidentate interaction with the Ser212 residue of MEK1. The most potent compound identified, 1 (G-894), is orally active in in vivo pharmacodynamic and tumor xenograft models.Azetidin-3-ol hydrochloride(cas: 18621-18-6Formula: C3H8ClNO) was used in this study.

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Formula: C3H8ClNO Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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Alcohol – Wikipedia,
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Hosseini, Seyed Mohammad; Karimi, Meghdad; Safarifard, Vahid published an article in 2021. The article was titled 《Metal-organic framework/carbon nitride nanosheets composites (TMU-49/CNNSs): efficient photocatalyst for aerobic oxidation of alcohols under visible light》, and you may find the article in New Journal of Chemistry.Formula: C7H7BrO The information in the text is summarized as follows:

Oxidation reactions are considered as a challenging issue at the industrial scale. As several traditional methods are not biocompatible and safe, there is a need to develop sustainable photocatalytic approaches that employ mol. oxygen as the terminal oxidant. Herein, a cobalt-based metal-organic framework (MOF) was hybridized with graphitic carbon nitride nanosheets (CNNSs), namely TMU-49/CNNSs, using a facile in situ ultrasound-assisted synthesis, for the catalytic photo-oxidation of benzyl alc. under visible light irradiation The oxidation was carried out with variation of four parameters: solvent, catalyst amount, time and light source. Characterization of as-prepared samples was performed by Fourier-transform IR spectroscopy, thermogravimetric anal., X-ray powder diffraction, N2 adsorption-desorption, SEM, and UV-visible diffuse reflection spectra. The TMU-49/CNNSs composite exhibited remarkable photocatalytic activity under visible light irradiation; the oxidation yield reached almost 80% for benzyl alc. after 3 h reaction. The superior photocatalytic activity of the MOF/CNNSs composite is attributed to enhanced separation of the photogenerated electron-hole pairs and increased visible-light absorption. After reading the article, we found that the author used (4-Bromophenyl)methanol(cas: 873-75-6Formula: C7H7BrO)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Formula: C7H7BrO It undergoes oxidation reaction in the presence of polyvinylpolypyrrolidone-supported hydrogen peroxide, silica sulfuric acid and ammonium bromide to yield 4-bromobenzaldehyde.

Referemce:
Alcohol – Wikipedia,
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Picken, Stephen J.; Filonenko, Georgy A. published an article in 2021. The article was titled 《Environmentally Sensitive Luminescence Reveals Spatial Confinement, Dynamics, and Their Molecular Weight Dependence in a Polymer Glass》, and you may find the article in ACS Applied Polymer Materials.Name: 2,6-Pyridinedimethanol The information in the text is summarized as follows:

Polymer glasses have an irregular structure. Among the causes for such complexity are the chem. distinct chain end groups that are the most abundant irregularities in any linear polymer. In this work, we demonstrate that chain end induced defects allow polymer glasses to create confined environments capable of hosting small emissive mols. Using environmentally sensitive luminescent complexes, we show that the size of these confinements depends on mol. weight and can dramatically affect the photoluminescence of free or covalently bound emissive complexes. We confirm the impact of chain end confinement on the bulk glass transition in poly(Me acrylate) (pMA) and show that commonly observed Tg changes induced by the chain ends should have a structural origin. Finally, we demonstrate that the size and placement of luminescent mol. probes in pMA can dramatically affect the probe luminescence and its temperature dependence, suggesting that polymer glass is a highly irregular and complex environment, marking its difference with conventional small mol. solvents. Considering the ubiquity of luminescent glassy materials, our work lays down a blueprint for designing them with structural considerations in mind, ones where packing d. and chain end size are key factors. After reading the article, we found that the author used 2,6-Pyridinedimethanol(cas: 1195-59-1Name: 2,6-Pyridinedimethanol)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Name: 2,6-Pyridinedimethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Qin, Nianqiao; Pan, An; Yuan, Jun; Ke, Fei; Wu, Xiaoyan; Zhu, Jing; Liu, Jianqiang; Zhu, Junfa published an article in 2021. The article was titled 《One-Step Construction of a Hollow Au@Bimetal-Organic Framework Core-Shell Catalytic Nanoreactor for Selective Alcohol Oxidation Reaction》, and you may find the article in ACS Applied Materials & Interfaces.Computed Properties of C7H9NO2 The information in the text is summarized as follows:

Hollow core-shell catalytic nanoreactors have received tremendous attention due to their high mass transfer in catalysis applications. Herein, we present a novel type of well-arranged, hollow core-shell nanoreactors featured with a bimetallic porous Zn/Ni-MOF-2 shell and a tiny Au nanoparticle core. The well-designed hollow Au@Zn/Ni-MOF-2 nanoreactors were constructed through the strategy of a facile one step from a rare crystal-structure transformation without any addnl. template. These nanoreactors exhibit outstanding multifunctional catalysis for a broad range of alc. oxidation under the green oxidant environment. Moreover, such hollow nanoreactors show excellent recyclability toward the selective alc. oxidation These findings might provide a promising platform for a general construct of various metal-organic framework-based hollow core-shell nanostructures and further highly augmented catalytic applications. In the experimental materials used by the author, we found 2,6-Pyridinedimethanol(cas: 1195-59-1Computed Properties of C7H9NO2)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Computed Properties of C7H9NO2

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Liu, Gang; Kim, Hyejin; Wang, Pingyuan; Fricke, Doerte R.; Chen, Haiying; Wang, Tianzhi; Shen, Qiang; Zhou, Jia published an article in 2021. The article was titled 《Further lead optimization on Bax activators: Design, synthesis and pharmacological evaluation of 2-fluoro-fluorene derivatives for the treatment of breast cancer》, and you may find the article in European Journal of Medicinal Chemistry.HPLC of Formula: 100-55-0 The information in the text is summarized as follows:

Fluorofluorene I exhibited a good balance between antitumor activity and toxicity, displaying submicromolar activities against a variety of cancer cell lines with 5.8-10.7-fold selectivity of decreased activity to MCF-10A human mammary epithelial cell line. Compound I dose-dependently blocked colony formation of breast cancer cells and prevented the migration and invasion of MDA-MB-231 cells. Mechanism of action studies indicate that I activated Bax, rendering its insertion into mitochondrial membrane, thereby leading to cytochrome c release from the mitochondria into the cytoplasm, subsequently inducing release of apoptotic biomarkers. Further in vivo efficacy studies of I in human breast cancer xenografts arisen from MDA-MB-231 cells demonstrated that this drug candidate significantly suppressed tumor growth, indicating the therapeutic promise of this class of compounds for the treatment of breast cancer as well as the potential for developing F-radiolabeled imaging ligands as anticancer chem. probes. After reading the article, we found that the author used 3-Pyridinemethanol(cas: 100-55-0HPLC of Formula: 100-55-0)

3-Pyridinemethanol(cas: 100-55-0) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. HPLC of Formula: 100-55-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Seierstad, Mark; Tichenor, Mark S.; DesJarlais, Renee L.; Na, Jim; Bacani, Genesis M.; Chung, De Michael; Mercado-Marin, Eduardo V.; Steffens, Helena C.; Mirzadegan, Taraneh published their research in ACS Medicinal Chemistry Letters in 2021. The article was titled 《Novel Reagent Space: Identifying Unorderable but Readily Synthesizable Building Blocks》.Application of 18621-18-6 The article contains the following contents:

Drug discovery building blocks available com. or within an internal inventory cover a diverse range of chem. space and yet describe only a tiny fraction of all chem. feasible reagents. Vendors will eagerly provide tools to search the former; there is no straightforward method of mining the latter. We describe a procedure and use case in assembling chem. structures not available for purchase but that could likely be synthesized in one robust chem. transformation starting from readily available building blocks. Accessing this vast virtual chem. space dramatically increases our curated collection of reagents available for medicinal chem. exploration and novel hit generation, almost tripling the number of those with 10 or fewer atoms. In addition to this study using Azetidin-3-ol hydrochloride, there are many other studies that have used Azetidin-3-ol hydrochloride(cas: 18621-18-6Application of 18621-18-6) was used in this study.

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Application of 18621-18-6 Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts