Tag: 100-200

In 2019,RSC Advances included an article by Abdolmohammadi, Shahrzad; Mirza, Behrooz; Vessally, Esmail. Safety of 3-Hydroxybenzaldehyde. The article was titled 《Immobilized TiO2 nanoparticles on carbon nanotubes: an efficient heterogeneous catalyst for the synthesis of chromeno[b]pyridine derivatives under ultrasonic irradiation》. The information in the text is summarized as follows:

A new protocol for the synthesis of chromeno[b]pyridine derivatives was described via a three-component reaction of 4-aminocoumarin, aromatic aldehydes and malononitrile catalyzed by TiO2 nanoparticles immobilized on carbon nanotubes (TiO2-CNTs) as an efficient heterogeneous catalyst under ultrasonic irradiation in water. The sustainable and economic benefits of the protocol were the high yields of products, short reaction time, simple work-up procedure, and use of a non-toxic and reusable catalyst.3-Hydroxybenzaldehyde(cas: 100-83-4Safety of 3-Hydroxybenzaldehyde) was used in this study.

3-Hydroxybenzaldehyde(cas: 100-83-4) can be used as a reactant along with ethyl acetoacetate and thiourea in the synthesis of corresponding dihydropyrimidine-2-thione (monastrol), using Yb(OTf)3 as a catalyst by Biginelli cyclocondensation reaction.Safety of 3-Hydroxybenzaldehyde

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Smolobochkin, Andrey V.; Turmanov, Rakhymzhan A.; Gazizov, Almir S.; Voloshina, Alexandra D.; Voronina, Julia K.; Sapunova, Anastasiia S.; Burilov, Alexander R.; Pudovik, Michail A. published their research in Tetrahedron on August 14 ,2020. The article was titled 《One-pot imination / Arbuzov reaction of 4-aminobutanal derivatives: Synthesis of 2-phosphorylpyrrolidines and evaluation of anticancer activity》.Recommanded Product: 6346-09-4 The article contains the following contents:

A novel one-pot method for the preparation of N-substituted 2-phopshorylpyrrolidines, e.g. I, from readily available 4,4-diethoxybutan-1-amine derivatives and P (III) acid chlorides is described. The presented method benefits from simple reaction and work-up procedures, mild reaction conditions, avoids protecting group introduction-removal stages and provides a straightforward access to target compounds In vitro cytotoxicity studies indicate that obtained 2-phopshorylpyrrolidines inhibit selectively M-Hela tumor cells growth. The activity of some derivatives towards M-Hela and MCF-7 tumor cells is comparable to that of reference drug Tamoxifen. In contrast to Tamoxifen and Doxorubicin tested compounds have no cytotoxic effects on normal cells. After reading the article, we found that the author used 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Recommanded Product: 6346-09-4)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) 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.Recommanded Product: 6346-09-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Maeda, Haruka; Tsuyama, Taku; Takabe, Keiji; Kamitakahara, Hiroshi; Takano, Toshiyuki published their research in Journal of Wood Science on December 31 ,2019. The article was titled 《Preparation and properties of a coniferin enantiomer》.Safety of rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol The article contains the following contents:

L-Coniferin (1L), which is an enantiomer of natural coniferin (D-coniferin (1D)), was prepared from L-glucose according to the conventional method for compound 1D. The reactivity of L-glucose and its derivatives was found to be almost same as that of the corresponding D-glucose and its derivatives during the preparation for compound 1L. Compound 1L showed resistance toward enzymic hydrolysis by com. β-glucosidase from Almond. However, unlike compound 1D, compound 1L was not transported across the membrane obtained from differentiating xylem of a hybrid poplar in the present assay. The result suggested for the first time that the D-/L-configuration of the glucose moiety of coniferin is an important factor affecting coniferin transport across the membrane. In the experiment, the researchers used rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1Safety of rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol)

rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1) is oxidized in various tissues under either aerobic or anaerobic conditions through glycolysis; the oxidation reaction produces carbon dioxide, water, and ATP.Safety of rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2021,Antioxidants included an article by Saravanakumar, Kandasamy; Park, SeonJu; Sathiyaseelan, Anbazhagan; Mariadoss, Arokia Vijaya Anand; Park, Soyoung; Kim, Seong-Jung; Wang, Myeong-Hyeon. Name: rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol. The article was titled 《Isolation of Polysaccharides from Trichoderma harzianum with Antioxidant, Anticancer, and Enzyme Inhibition Properties》. The information in the text is summarized as follows:

In this work, a total of six polysaccharides were isolated from culture filtrate (EPS1, EPS2) and mycelia (IPS1-IPS4) of Trichoderma harzianum. The HPLC anal. results showed that EPS1, EPS2, IPS1, and IPS2 were composed of mannose, ribose, glucose, galactose, and arabinose. The FT-IR, 1H, and 13C NMR chem. shifts confirmed that the signals in EPS1 mainly consist of (1→4)-linked α-d-glucopyranose. EPS1 and IPS1 showed a smooth and clean surface, while EPS2, IPS2, and IPS3 exhibited a microporous structure. Among polysaccharides, EPS1 displayed higher ABTS+ (47.09 ± 2.25% and DPPH (26.44 ± 0.12%) scavenging activities, as well as higher α-amylase (69.30 ± 1.28%) and α-glucosidase (68.22 ± 0.64%) inhibition activity than the other polysaccharides. EPS1 exhibited high cytotoxicity to MDA-MB293 cells, with an IC50 of 0.437 mg/mL, and this was also confirmed by cell staining and FACS assays. These results report the physicochem. and bioactive properties of polysaccharides from T. harzianum. In the experimental materials used by the author, we found rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1Name: rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol)

rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1) is oxidized in various tissues under either aerobic or anaerobic conditions through glycolysis; the oxidation reaction produces carbon dioxide, water, and ATP.Name: rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Computed Properties of C3H5F3OOn March 24, 2021, Zhang, Chun-Hui; Stone, Elizabeth A.; Deshmukh, Maya; Ippolito, Joseph A.; Ghahremanpour, Mohammad M.; Tirado-Rives, Julian; Spasov, Krasimir A.; Zhang, Shuo; Takeo, Yuka; Kudalkar, Shalley N.; Liang, Zhuobin; Isaacs, Farren; Lindenbach, Brett; Miller, Scott J.; Anderson, Karen S.; Jorgensen, William L. published an article in ACS Central Science. The article was 《Potent noncovalent inhibitors of the main protease of SARS-CoV-2 from molecular sculpting of the drug perampanel guided by free energy perturbation calculations》. The article mentions the following:

Starting from our previous finding of 14 known drugs as inhibitors of the main protease (Mpro) of SARS-CoV-2, the virus responsible for COVID-19, we have redesigned the weak hit perampanel to yield multiple noncovalent, nonpeptidic inhibitors with ca. 20 nM IC50 values in a kinetic assay. Free-energy perturbation (FEP) calculations for Mpro-ligand complexes provided valuable guidance on beneficial modifications that rapidly delivered the potent analogs. The design efforts were confirmed and augmented by determination of high-resolution X-ray crystal structures for five analogs bound to Mpro. Results of cell-based antiviral assays further demonstrated the potential of the compounds for treatment of COVID-19. In addition to the possible therapeutic significance, the work clearly demonstrates the power of computational chem. for drug discovery, especially FEP-guided lead optimization. The experimental part of the paper was very detailed, including the reaction process of 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2Computed Properties of C3H5F3O)

3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2) is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.Computed Properties of C3H5F3O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Zinc oxide catalyzed, environmentally benign protocol for the synthesis of substituted carboxylic acid》 was written by Shaikh, Majid; Shaikh, Mujahed; Wagare, Devendra; Kasim, Sayyad Sultan. Application of 26153-38-8This research focused onzinc oxide substituted carboxylic acid benign protocol synthesis. The article conveys some information:

Carboxylic acid act as a versatile precursor to synthesized biol. valuable mol. like amide, acid chloride and many more. Hence, we have developed convenient method to synthesized substituted carboxylic acid. The previous synthetic method found limitations regarding the use of hazardous solvent, tedious work-up, slow and moderate product yields. To over come, these lacunas herein we have developed a facial and highly efficient synthetic protocol for the synthesis of carboxylic acids from the reaction of substituted aldehydes and hydrogen peroxide (70%) with zinc oxide (10% mol) as a catalyst and in onion extract Reported method is better substitute for the existing previous methods because it has many advantages such as easy work-up, reduces the reaction time in just 1-2 h with excellent yield and most important the Zinc oxide easily removed with filtration. The results came from multiple reactions, including the reaction of 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Application of 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.Application of 26153-38-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Vicinal difunctionalization of carbon-carbon double bond for the platform synthesis of trifluoroalkyl amines》 was written by Beke, Ferenc; Meszaros, Adam; Toth, Agnes; Botlik, Bence Bela; Novak, Zoltan. Application In Synthesis of Azetidin-3-ol hydrochlorideThis research focused ontrifluoroalkyl amine preparation regioselective; amine trifluoroalkenyl iodonium salt three component diamination. The article conveys some information:

Herein, the controllable double nucleophilic functionalization of an activated alkene synthon I, originated from a trifluoropropenyliodonium salt with two distinct nucleophiles, enables the selective synthesis of trifluoromethylated ethylene amines and diamines RCH(CF3)CH2R1 (R = methyl(naphthalen-1-ylmethyl)aminyl, methyl(prop-2-yn-1-yl)aminyl, 3-azabicyclo[3.2.2]nonan-3-yl, etc.; R1 = {1-[(tert-butoxy)carbonyl]azetidin-3-yl}(2-phenylethyl)aminyl, 2-sulfanylidene-1,2-dihydropyridin-1-yl, etc.) on broad scale with high efficiency under mild reaction conditions. Considering the chem. nature of the reactants, this synthetic approach brings forth an efficient methodol. and provides versatile access to highly fluorinated amines. The results came from multiple reactions, including the reaction of Azetidin-3-ol hydrochloride(cas: 18621-18-6Application In Synthesis of Azetidin-3-ol hydrochloride)

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 In Synthesis of Azetidin-3-ol hydrochloride 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

《A new catalytic approach for aerobic oxidation of primary alcohols based on a Copper(I)-thiophene carbaldimines》 was written by Lagerspets, Emi; Valbonetti, Evelyn; Eronen, Aleksi; Repo, Timo. Application of 1195-59-1This research focused onthiophenyl methanimine preparation; primary alc copper thiophenyl methanimine catalyst oxidation; diol copper thiophenyl methanimine catalyst oxidation. The article conveys some information:

Novel Cu(I) thiophene carbaldimine catalysts for the selective aerobic oxidation of primary alcs. to their corresponding aldehydes and various diols to lactones or lactols was reported. In the presence of the in-situ generated Cu(I) species, a persistent radical (2,2,6,6-tetramethylpiperdine-N-oxyl (TEMPO)) and N-methylimidazole (NMI) as an auxiliary ligand, the reaction proceeds under aerobic conditions and at ambient temperature Especially the catalytic system of 1-(thiophen-2-yl)-N-(4-(trifluoromethoxy)phenyl)methanimine with copper(I)-iodide showed high reactivity for all kind of alcs. (benzylic, allylic and aliphatic). In the case of benzyl alc. even 2.5 mol% of copper loading gave quant. yield. Beside high activity under aerobic conditions, the catalysts ability to oxidize 1,5-pentadiol to the corresponding lactol (86% in 4 h) and N-phenyldiethanolamine to the corresponding morpholine derivate lactol (86% in 24 h) is particularly noteworthy. In the experimental materials used by the author, we found 2,6-Pyridinedimethanol(cas: 1195-59-1Application of 1195-59-1)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridines, quinolines, and isoquinolines have found a function in almost all aspects of organic chemistry. Pyridine has found use as a solvent, base, ligand, functional group, and molecular scaffold. As structural elements, these moieties are potent electron-deficient groups, metal-directing functionalities, fluorophores, and medicinally important pharmacophores. Application of 1195-59-1

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Reference of 2,6-PyridinedimethanolIn 2019 ,《Site-Specific Modification of Proteins through N-Terminal Azide Labeling and a Chelation-Assisted CuAAC Reaction》 appeared in Bioconjugate Chemistry. The author of the article were Inoue, Nozomu; Onoda, Akira; Hayashi, Takashi. The article conveys some information:

Site-specific modification of peptides and proteins is an important method for introducing an artificial function to the protein surface. Recently, we found that new bioconjugation reagents, 6-(azidomethyl)-2-pyridinecarbaldehyde (6AMPC) derivatives, allow specific N-terminal modification and enhance the reaction rate of the subsequent bioconjugation in a chelation-assisted CuAAC reaction. The N-terminal specific azide-labeling of bioactive peptides and proteins occurs under mild reaction conditions with 6AMPC derivatives (angiotensin I: 90%, RNase A: 90%). Kinetic anal. of the CuAAC reaction with azide-labeled proteins reveals that the ligation is promoted in the presence of a copper-chelating pyridine moiety. Importantly, the introduction of an electron-donating methoxy group to the pyridine moiety further accelerates the CuAAC ligation. We demonstrate that this method enables site-specific conjugation of various functional mols. such as fluorophores, biotin, and polyethylene glycol. In the experiment, the researchers used many compounds, for example, 2,6-Pyridinedimethanol(cas: 1195-59-1Reference of 2,6-Pyridinedimethanol)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. The basicity and metallophilic high donor number of these π-deficient systems has long favored them as ligands in metal catalysis. The last decade saw pyridine assume a stronger role as functional group for directed C–H oxidation/activation.Reference of 2,6-Pyridinedimethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Scarneo, Scott; Hughes, Philip; Freeze, Robert; Yang, Kelly; Totzke, Juliane; Haystead, Timothy published an article in ACS Chemical Biology. The title of the article was 《Development and Efficacy of an Orally Bioavailable Selective TAK1 Inhibitor for the Treatment of Inflammatory Arthritis》.Application of 27489-62-9 The author mentioned the following in the article:

Selective targeting of TNF in inflammatory diseases such as rheumatoid arthritis (RA) has provided great therapeutic benefit to many patients with chronic RA. Although these therapies show initially high response rates, their therapeutic benefit is limited over the lifetime of the patient due to the development of antidrug antibodies that preclude proper therapeutic benefits. As a result, patients often return to more problematic therapies such as methotrexate or hydroxychloroquine, which carry long-term side effects. Thus, there is an unmet medical need to develop alternative treatments enabling patients to regain the benefits of selectively targeting TNF functions in vivo. The protein kinase TAK1 is a critical signaling node in TNF-mediated intracellular signaling, regulating downstream NF-κβ activation, leading to the transcription of inflammatory cytokines. TAK1 inhibitors have been developed but have been limited in their clin. advancement due to the lack of selectivity within the human kinome and, most importantly, lack of oral bioavailability. Using a directed medicinal chem. approach, driven by the cocrystal structure of the TAK1 inhibitor takinib, we developed HS-276 (I), a potent (Ki = 2.5 nM) and highly selective orally bioavailable TAK1 inhibitor. Following oral administration in normal mice, HS-276 is well tolerated (MTD >100 mg/Kg), displaying >95% bioavailability with μM plasma levels. The in vitro and in vivo efficacy of HS-276 showed significant inhibition of TNF-mediated cytokine profiles, correlating with significant attenuation of arthritic-like symptoms in the CIA mouse model of inflammatory RA. Our studies reinforce the hypothesis that TAK1 can be safely targeted pharmacol. to provide an effective alternative to frontline biol.-based RA therapeutics.trans-4-Aminocyclohexanol(cas: 27489-62-9Application of 27489-62-9) was used in this study.

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts