Tag: 100-200

《Synthesis of water-soluble polyammonium thiacalix[4]arene derivative and its interaction with calf thymus DNA》 was published in Russian Journal of General Chemistry in 2020. These research results belong to Burilov, V. A.; Mironova, D. A.; Grygoriev, I. A.; Valiyakhmetova, A. M.; Solovieva, S. E.; Antipin, I. S.. Safety of 3-Bromopropan-1-ol The article mentions the following:

Abstract: A water-soluble thiacalix[4]arene derivative containing four diethylenetriamine fragments in 1,3-alternate stereoisomeric form has been obtained for the first time. Using ethidium bromide, it has been found that the macrocycle can interact with calf thymus DNA. The macrocycle has been found to interact with DNA via groove binding. The presence of four diethylenetriamine fragments on the calixarene platform leads to multivalent interactions with DNA, resulting in an increase in the binding constant by two orders of magnitude compared to individual diethylenetriamine. In the experiment, the researchers used 3-Bromopropan-1-ol(cas: 627-18-9Safety of 3-Bromopropan-1-ol)

3-Bromopropan-1-ol(cas: 627-18-9) was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. Furthermore, it was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids.Safety of 3-Bromopropan-1-ol

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《Synthesis and antioxidant properties of some new thiazolyl coumarin derivatives》 was published in Green Chemistry Letters and Reviews in 2020. These research results belong to Bensalah, Donia; Mnasri, Aziza; Chakchouk-Mtibaa, A.; Mansour, Lamjed; Mellouli, L.; Hamdi, Naceur. COA of Formula: C7H6O2 The article mentions the following:

A three-component one-pot synthesis of new thiazolyl coumarins I (R = Ph, 4-O2NC6H4, 3-HOC6H4, etc.) was carried out by condensing 3-acetyl-4-hydroxycoumarin, benzaldehydes RCHO, thiourea and ammonium acetate at reflux in di-Me carbonate. The optimization details of the developed novel protocol are described. In addition, these compounds were also synthesized via another route in two steps. High atom-economy, excellent yields, simple procedure and mild reaction conditions are the important features of this one-pot protocol. The chem. structures of the newly synthesized compounds I were elucidated using IR, 1H NMR, 13C NMR spectroscopy. All the compounds I were screened for their antioxidant activities.3-Hydroxybenzaldehyde(cas: 100-83-4COA of Formula: C7H6O2) 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.COA of Formula: C7H6O2

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The author of 《Some derivatives of catechol and pyrogallol. I》 were Haworth, Robert D.; Woodcock, David. And the article was published in Journal of the Chemical Society in 1946. Category: alcohols-buliding-blocks The author mentioned the following in the article:

In view of the vesicancy attributed to pyrocatechol (I) derivatives occurring in natural lacquers, a number of 3- and 4-acyl- and -alkyl-pyrocatechols and -pyrogallols containing C4 to C18 side chains have been synthesized and tested. 1,2,3-C6H3(OH)3 (1 mol.), 2.1 mols. aliphatic acid, and 1 mol. anhydrous ZnCl2 are heated 2 h. at 135-40°, the cooled mixture treated with dilute HCl, the product taken up in ether and, after washing with H2O, distilled at 0.5 mm.; the following 4-acylpyrogallols were thus prepared: butyryl, m. 90-1°, 60% (Hart and Woodruff, C.A. 30, 8186.8, give 101°); hexanoyl, m. 72-4°, 50% (H. and W., loc. cit., give 86°); octanoyl, m. 73-4°, 40%; hendecanoyl, m. 76-7°, 35%; dodecanoyl, m. 76-7°, 30%; tetradecanoyl, m. 82-4°, 25%; hexadecanoyl, m. 89-90°, 30%; octadecanoyl, m. 91-3°, 25%. Clemmensen reduction (1 part phenol, 5 parts amalgamated Zn, and 5 parts concentrated HCl refluxed 24 h.) gives 50-65% 4-alkylpyrogallols: octyl, m. 106-7°; nonyl, m. 109-10°; hendecyl, m. 110-11°; dodecyl, m. 109-10°; tetradecyl, m. 112-13°; hexadecyl, m. 116°; octadecyl, m. 114-15°. 4-Acylcatechols were prepared by heating equal weights of I, the acid, and anhydrous ZnCl2 at 135-40° for 2 h.: hendecanoyl, m. 105°, 15%; dodecanoyl, m. 97-8°, 20%; tetradecanoyl, m. 98-9°, 20%; hexadecanoyl, m. 99-100°, 10%; octadecanoyl, m. 100-1°, 10% (Rosenmund and Lohfert, C.A. 23, 2161, give 70°). In the preparation of 4-nonanoylcatechol (m. 92-3°, 40%), 1 mol. I diester, 1 mol. I, and 2 mols. AlCl3 in 20 mols. PhNO2 were heated 2 h. at 80-100°; for the preparation of 4-heptanoylcatechol (m. 93-4°, 50%; Miller, et al., C.A. 32, 1669.2, give 79°), 1 mol. I and 1.5 mols. AlCl3 in 20 parts CS2 were gradually treated with 1 mol. acid chloride, heated to 40-50°, the solvent removed, and the residue heated at 150° for 4 h. Because of the inaccessibility of the higher aliphatic acids with an odd number of C atoms, (MeO)2C6H3CHO was reacted with RMgX and the product dehydrated with KHSO4 at 180°; the following were obtained crystalline: 17-(3,4-dimethoxyphenyl)-1-heptadecene, m. 40-1°, 60%; 15-(2,3-dimethoxyphenyl)-1-pentadecene, b0.5 190°, m. 52°, 35%. Catalytic reduction (10% Pd-C in EtOH for 4-12 h.) yields 100% of 1-(3,4-dimethoxyphenyl)heptadecane, m. 53-4°, and 1-(2,3-dimethoxyphenyl)pentadecane, m. 34-6°. These compounds were demethylated with HI or HBr (3 conditions given). The following 4-alkylpyrocatechols were prepared by Clemmensen reduction: Bu, m. 39-41°; Am, m. 57-9°; heptyl, m. 65-7° (M., loc. cit., gives 40°); octyl, m. 57-8° (M. gives 40°); nonyl, m. 68°; hendecyl, m. 81-2°; dodecyl; m. 75-6°; tetradecyl, m. 65-7°; hexadecyl, m. 75-6°; octadecyl, m. 78-9°. The 3-alkylpyrocatechols were prepared by demethylation: Bu, m. 33-6°; Am, m. 34-5°; hexyl, m. 30-1°, heptyl, solid at 5°; octyl, b0.4 135-40°. None of the compounds produced vesication but several caused erythema. Pyrocatechols are more irritant than the corresponding pyrogallol derivatives In the 4-alkylpyrocatechol series, the members from Bu to octyl have approx. the same activity, which decreases with increasing length of side chain; in the 3-alkyl series, the optimum activity is found in the 3-heptyl derivative, but there is no pronounced difference in the activity of the 3- and 4-alkyl series. Acylpyrocatechols and -pyrogallols are completely inactive. The slight activity of 4-amylresorcinol suggests that the irritant properties are not limited to the I series. In the experiment, the researchers used 4-Butylbenzene-1,2-diol(cas: 2525-05-5Category: alcohols-buliding-blocks)

4-Butylbenzene-1,2-diol(cas: 2525-05-5) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry.Category: alcohols-buliding-blocks Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities.

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Application In Synthesis of 3,3,3-Trifluoropropan-1-olOn November 11, 2021 ,《DNDI-6148: A Novel Benzoxaborole Preclinical Candidate for the Treatment of Visceral Leishmaniasis》 appeared in Journal of Medicinal Chemistry. The author of the article were Mowbray, Charles E.; Braillard, Stephanie; Glossop, Paul A.; Whitlock, Gavin A.; Jacobs, Robert T.; Speake, Jason; Pandi, Bharathi; Nare, Bakela; Maes, Louis; Yardley, Vanessa; Freund, Yvonne; Wall, Richard J.; Carvalho, Sandra; Bello, Davide; Van den Kerkhof, Magali; Caljon, Guy; Gilbert, Ian H.; Corpas-Lopez, Victoriano; Lukac, Iva; Patterson, Stephen; Zuccotto, Fabio; Wyllie, Susan. The article conveys some information:

Visceral leishmaniasis (VL) is a parasitic disease endemic across multiple regions of the world and is fatal if untreated. Current therapies are unsuitable, and there is an urgent need for safe, short-course, and low-cost oral treatments to combat this neglected disease. The benzoxaborole chemotype has previously delivered clin. candidates for the treatment of other parasitic diseases. Here, we describe the development and optimization of this series, leading to the identification of compounds with potent in vitro and in vivo antileishmanial activity. The lead compound (DNDI-6148) combines impressive in vivo efficacy (>98% reduction in parasite burden) with pharmaceutical properties suitable for onward development and an acceptable safety profile. Detailed mode of action studies confirm that DNDI-6148 acts principally through the inhibition of Leishmania cleavage and polyadenylation specificity factor (CPSF3) endonuclease. As a result of these studies and its promising profile, DNDI-6148 has been declared a preclin. candidate for the treatment of VL. The experimental process involved the reaction of 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2Application In Synthesis of 3,3,3-Trifluoropropan-1-ol)

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.Application In Synthesis of 3,3,3-Trifluoropropan-1-ol

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《Fabrication of a new heterogeneous tungstate-based on the amino-functionalized metal-organic framework as an efficient catalyst towards sonochemical oxidation of alcohols under green condition》 was written by Sabaghi, Maryam; Aghajani, Zahra; Najafi, Gholam Reza. Computed Properties of C7H7BrOThis research focused ontungstate amino functionalized metal organic framework catalyst preparation; aldehyde ketone preparation green chem ultrasound irradiation; alc sonochem oxidation. The article conveys some information:

Ultrasonic-assisted reactions, as a green technique, are often more efficient compared to those traditional protocols. To this end, the selective and solvent-free oxidation of aromatic alcs. to the corresponding aldehydes and ketones were investigated in the presence of Co-ABDC/W at room temperature under ultrasonic irradiation conditions for the first time in this paper. The structure, particle size, thermal stability, and morphol. of the fabricated heterogeneous catalyst and the products were characterized by FT-IR, EDS, FE-SEM, XRD, TGA, and GC analyses. In this regard, immobilization of tungstate had a significant effect on thermal stability (around 450° for 40% weight loss) and catalytic performance. Moreover, the efficiency of two different oxidation methods, including ultrasound irradiations and reflux, were comparatively investigated by GC spectrometry. Obtained sonoxidn. results presented higher conversions ranging (84 to 100%) than reflux condition via shorter reaction times. The influences of the reaction parameters, such as hydrogen peroxide concentration, and catalyst loading, were also investigated. The proposed method offers several advantages, such as excellent conversions, selective oxidations, environmentally-benign procedure, short reaction times, and easy workup. Notably, this is the first report that focuses on using amino-functionalized MOFs with ultrasonic irradiation for selective oxidation reactions. The experimental part of the paper was very detailed, including the reaction process of (4-Bromophenyl)methanol(cas: 873-75-6Computed Properties of C7H7BrO)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Computed Properties of C7H7BrO It is used in the synthesis of amphiphilic, symmetric rod-coil, triblock copolymer of poly(9,9-didodecylfluorene-2,7-diyl) and poly(hydroxyl ethyl methacrylate)

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HPLC of Formula: 27489-62-9In 2021 ,《Thermodynamic Dissection of Potency and Selectivity of Cytosolic Hsp90 Inhibitors》 was published in Journal of Medicinal Chemistry. The article was written by Yoshimura, Chihoko; Nagatoishi, Satoru; Kuroda, Daisuke; Kodama, Yasuo; Uno, Takao; Kitade, Makoto; Chong-Takata, Khoontee; Oshiumi, Hiromi; Muraoka, Hiromi; Yamashita, Satoshi; Kawai, Yuichi; Ohkubo, Shuichi; Tsumoto, Kouhei. The article contains the following contents:

The cytosolic Hsp90-selective inhibitor TAS-116 has an acceptable safety profile and promising antitumor activity in clin. trials. We examined the binding characteristics of TAS-116 and its analogs to determine the impact of the ligand binding mode on selectivity for cytosolic Hsp90. Analyses of the co-crystal structure of Hsp90 and inhibitor TAS-116 suggest that TAS-116 interacts with the ATP-binding pocket, the ATP lid region, and the hydrophobic pocket. A competitive isothermal titration calorimetry anal. confirmed that a small fragment of TAS-116 (THS-510) docks into the lid region and hydrophobic pockets without binding to the ATP-binding pocket. THS-510 exhibited enthalpy-driven binding to Hsp90α and selectively inhibited cytosolic Hsp90 activity. The heat capacity change of THS-510 binding was pos., likely due to the induced conformational rearrangement of Hsp90. Thus, we concluded that interactions with the hydrophobic pocket of Hsp90 determine potency and selectivity of TAS-116 and derivatives for the cytosolic Hsp90 isoform. The experimental process involved the reaction of trans-4-Aminocyclohexanol(cas: 27489-62-9HPLC of Formula: 27489-62-9)

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

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Reference of 6-Aminohexan-1-olIn 2020 ,《The breaking beads approach for photocleavage from solid support》 was published in Organic & Biomolecular Chemistry. The article was written by Bakhatan, Yasmeen; Alshanski, Israel; Grunhaus, Dana; Hurevich, Mattan. The article contains the following contents:

Photocleavage from polystyrene beads is a pivotal reaction for solid phase synthesis that relies on photolabile linkers. Photocleavage from intact porous polystyrene beads is not optimal because light cannot penetrate into the beads and the surface area exposed to irradiation is limited. Thus, hazardous, tech. challenging and expensive setups are used for photocleavage from intact beads. We developed a new concept in which grinding the beads during or prior to irradiation is employed as an essential part of the photocleavage process. By grinding the beads we are exposing more surface area to the light source, hence, photocleavage can be performed even using a simple benchtop LED setup. This approach proved very efficient for photocleavage of various model compounds including fully protected oligosaccharides. In the experiment, the researchers used 6-Aminohexan-1-ol(cas: 4048-33-3Reference of 6-Aminohexan-1-ol)

6-Aminohexan-1-ol(cas: 4048-33-3) can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.Reference of 6-Aminohexan-1-ol

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Quality Control of 3-HydroxybenzaldehydeIn 2020 ,《Synthesis of 8-Aryl-7H-acenaphtho[1,2-d]imidazoles Using Fe3O4 NPs@GO@C4H8SO3H as a Green and Recyclable Magnetic Nanocatalyst》 appeared in Russian Journal of Organic Chemistry. The author of the article were Hasanzadeh, F.; Behbahani, F. K.. The article conveys some information:

A general procedure was developed for the rapid synthesis of 8-aryl-7H-acenaphtho[1,2-d]imidazoles in high yields using Fe3O4 NPs@GO@C4H8SO3H as a green and recyclable magnetic nanocatalyst under reflux conditions. The nanocatalyst was prepared and characterized by FT-IR, XRD, and EDX data. A variety of aromatic aldehydes underwent condensation with NH4OAc and acenaphthenequinone to give 8-aryl-7H-acenaphtho[1,2-d]imidazole derivatives The use of magnetic nanoparticles, easy separation of the catalyst with an external magnet, high yields, and short reaction times are the main advantages of this catalytic method.3-Hydroxybenzaldehyde(cas: 100-83-4Quality Control of 3-Hydroxybenzaldehyde) was used in this study.

3-Hydroxybenzaldehyde(cas: 100-83-4) is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.Quality Control of 3-Hydroxybenzaldehyde

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HPLC of Formula: 27489-62-9In 2019 ,《Design, synthesis, and biological evaluation of radioiodinated benzo[d]imidazole-quinoline derivatives for platelet-derived growth factor receptor β (PDGFRβ) imaging》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Effendi, Nurmaya; Mishiro, Kenji; Takarada, Takeshi; Yamada, Daisuke; Nishii, Ryuichi; Shiba, Kazuhiro; Kinuya, Seigo; Odani, Akira; Ogawa, Kazuma. The article conveys some information:

Several malignant tumors and fibrotic diseases are associated with PDGFRβ overexpression and excessive signaling, making this receptor attractive for mol. targeting and imaging approaches. A series of benzo[d]imidazole-quinoline derivatives were designed and synthesized to develop radioiodinated compounds as PDGFRβ-specific imaging probes. The structure activity relationship (SAR) evaluation of the designed compounds was performed. Among them, 2-[5-(2-methoxyethoxy)-1H-benzo[d]imidazol-1-yl]-8-(piperazin-1-yl)quinoline (5a) and 4-{2-[5-(2-methoxyethoxy)-1H-benzo[d]imidazol-1-yl]quinolin-8-yl}morpholine (5d) exhibited a relatively high PDGFRβ-TK inhibitory potency, whereas iodinated 5a derivative 5-iodo-2-[5-(2-methoxyethoxy)-1H-benzo[d]imidazol-1-yl]-8-(piperazin-1-yl)quinoline (8) exhibited a superior inhibitory potency as PDGFRβ inhibitor than iodinated 5d derivative 4-{5-iodo-2-[5-(2-methoxyethoxy)-1H-benzo[d]imidazol-1-yl]quinolin-8-yl}morpholine (11). Furthermore, [125I]8 and [125I]11 were synthesized and evaluated for PDGFRβ radioligand ability, both in vitro and in vivo. Cellular uptake experiments showed that [125I]8 had a higher uptake in BxPC3-luc cells as PDGFRβ-pos. cells than [125I]11. Incubation of [125I]8 after pretreatment of PDGFRβ ligands significantly reduced the uptake of [125I]8. In biodistribution experiments using tumor-bearing mice, [125I]8 accumulation in the tumor 1 h postinjection was higher than that of the benzo[d]imidazol-quinoline derivative [125I]IIQP, used in our previous research. These results indicate that [125I]8 could be a promising PDGFRβ imaging agent. Although its clin. application requires further structural modifications, the results obtained in this research may be useful for the development of PDGFRβ-specific radioligands. In the experimental materials used by the author, we found trans-4-Aminocyclohexanol(cas: 27489-62-9HPLC of Formula: 27489-62-9)

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

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Reference of trans-4-AminocyclohexanolIn 2017 ,《Inhibitory Kappa B Kinase α (IKKα) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers》 appeared in Journal of Medicinal Chemistry. The author of the article were Anthony, Nahoum G.; Baiget, Jessica; Berretta, Giacomo; Boyd, Marie; Breen, David; Edwards, Joanne; Gamble, Carly; Gray, Alexander I.; Harvey, Alan L.; Hatziieremia, Sophia; Ho, Ka Ho; Huggan, Judith K.; Lang, Stuart; Llona-Minguez, Sabin; Luo, Jia Lin; McIntosh, Kathryn; Paul, Andrew; Plevin, Robin J.; Robertson, Murray N.; Scott, Rebecca; Suckling, Colin J.; Sutcliffe, Oliver B.; Young, Louise C.; Mackay, Simon P.. The article conveys some information:

IKKβ plays a central role in the canonical NF-kB pathway, which has been extensively characterized. The role of IKKα in the noncanonical NF-kB pathway, and indeed in the canonical pathway as a complex with IKKβ, is less well understood. One major reason for this is the absence of chem. tools designed as selective inhibitors for IKKα over IKKβ. Herein, we report for the first time a series of novel, potent, and selective inhibitors of IKKα. We demonstrate effective target engagement and selectivity with IKKα in U2OS cells through inhibition of IKKα-driven p100 phosphorylation in the noncanonical NF-kB pathway without affecting IKKβ-dependent IKappa-Bα loss in the canonical pathway. These compounds represent the first chem. tools that can be used to further characterize the role of IKKα in cellular signaling, to dissect this from IKKβ and to validate it in its own right as a target in inflammatory diseases. The experimental process involved the reaction of trans-4-Aminocyclohexanol(cas: 27489-62-9Reference of trans-4-Aminocyclohexanol)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Reference of trans-4-Aminocyclohexanol

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