Tag: 100-200

Lebrene, Arthur; Martzel, Thomas; Gouriou, Laura; Sanselme, Morgane; Levacher, Vincent; Oudeyer, Sylvain; Afonso, Carlos; Loutelier-Bourhis, Corinne; Briere, Jean-Francois published their research in Journal of Organic Chemistry in 2021. The article was titled 《The Catalytic Regio- and Stereoselective Synthesis of 1,6-Diazabicyclo[4.3.0]nonane-2,7-diones》.Electric Literature of C9H10O2 The article contains the following contents:

A straightforward synthesis of original 1,6-diazabicyclo[4.3.0]nonane-2,7-diones I (n = 1, 2; R = Me, Ph, methoxycarbonyl, etc.; R1 = i-Pr, 4-chlorophenyl, cyclopropyl, pyridin-4-yl, etc.) was achieved through a DBU-organocatalyzed multicomponent Knoevenagel-aza-Michael-Cyclocondensation reaction which takes advantage of an unprecedented highly regio- and diastereoselective conjugate addition of pyridazinones II to alkylidene Meldrum’s acid intermediates. The key reactive intermediates of this complex process were analyzed by means of electrospray ionization mass spectrometry coupled to ion mobility spectrometry, allowing to validate the proposed mechanism. In addition to this study using 2-(Benzyloxy)acetaldehyde, there are many other studies that have used 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Electric Literature of C9H10O2) was used in this study.

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) may be used in the following syntheses: (3S,5S)-methyl 6-benzyloxy-3,5-dihydroxyhexanoate ,(S)-5-benzyloxy-4-hydroxypentan-2-one, myxothiazols.Electric Literature of C9H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Lupascu, Gina; Pahontu, Elena; Shova, Sergiu; Barbuceanu, Stefania Felicia; Badea, Mihaela; Paraschivescu, Codruta; Neamtu, Johny; Dinu, Mihaela; Ancuceanu, Robert Viorel; Draganescu, Doina; Dinu-Pirvu, Cristina Elena published their research in Applied Organometallic Chemistry in 2021. The article was titled 《Co(II), Cu(II), Mn(II), Ni(II), Pd(II), and Pt(II) complexes of bidentate Schiff base ligand: Synthesis, crystal structure, and acute toxicity evaluation》.HPLC of Formula: 673-22-3 The article contains the following contents:

5-Methoxy-2-(((2-chloro-5-(trifluoromethyl)phenyl)imino)methyl)phenol (HL) and its cobalt(II), copper(II), manganese(II), nickel(II), palladium(II), and platinum(II) complexes, [Co(L)2]·4H2O (1), [Cu(L)2] (2), [Mn(L)2(H2O)2]·H2O (3), [Ni(L)2] (4), [Pd(L)2] (5), [Pt(L)2] (6), were synthesized and characterized. The compounds were investigated by different physico-chem. techniques including IR, 1H-NMR, 13C-NMR, UV-Vis, mass spectroscopies, elemental and thermal anal., magnetic susceptibility measurements, and molar elec. conductivity The mol. structures of the HL ligand and copper(II), nickel(II), and palladium(II) complexes were confirmed by x-ray crystallog. anal. on the monocrystal. Each metal ion, in these complexes, is four-coordinated in N2O2 coordination environment. The coordination geometry of Ni2+ and Pd2+ is square planar due to crystallog. imposed inversion symmetry of the metal centers, and the coordination geometry of copper atom can be described as tetrahedrally distorted square planar. The assessed toxicity of the ligand and its complex combinations on plant cell of Triticum aestivum L. were macroscopically and microscopically consistent. The same substances were investigated for the animal cell toxicity on crustacean Artemia Franciscan Kellogg, and Mn2+ complex did not record any lethal effect. The experimental part of the paper was very detailed, including the reaction process of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3HPLC of Formula: 673-22-3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.HPLC of Formula: 673-22-3

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Ether – Wikipedia,
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Kar, Swayamsiddha; Akhir, Abdul; Chopra, Sidharth; Ohki, Shinya; Karanam, Balasubramanyam; Golakoti, Nageswara Rao published their research in Medicinal Chemistry Research in 2021. The article was titled 《Benzopyrylium salts as new anticancer, antibacterial, and antioxidant agents》.Computed Properties of C8H8O3 The article contains the following contents:

Benzopyrylium salts are an unexplored class of compounds and as a first, this study reports them as potential therapeutic agents. In this effort we pursue the synthesis and in vitro anticancer, antibacterial and antioxidant properties of some novel benzopyrylium salts. The benzopyrylium salts were synthesized and further characterized via UV-vis, IR, 1H-NMR, 13C-NMR and mass spectrometry. The benzopyrylium salts were tested in vitro for anticancer activity across NCI 60 cell line panel. PS-CP-4MO showed the best activity against the MDA-MB-435 cell line of melanoma cancer in terms of the least GI50 (1.78μM), TGI (3.47μM) and LC50 (6.77μM) values and showed selectivity against melanoma, colon cancer and leukemia. Mechanistic studies indicate that this compound inhibits MCF-7 cancer cells by inducing apoptosis and abrogates colony formation and wound healing in the cancer cells. Antibacterial studies show that some of the benzopyrylium salts are active on S. aureus (ATCC 29213) and the best active compound PS-CP-5Cl has a MIC of 8μg/mL. Antioxidant studies indicate that they have good free radical scavenging properties (PS-CP-5Cl showed activity 1.48 times ascorbic acid). Fulfillment of the Lipinski’s parameters of the benzopyrylium salts in silico showed tremendous drug likeness as potential pharmacophore leads. The results came from multiple reactions, including the reaction of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Computed Properties of C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Computed Properties of C8H8O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Huang, Huoming; Li, Xueping; Xie, Peng; Li, Xinwei; Xu, XueJun; Qian, Yuanyuan; Yuan, Congmin; Meng, Xiangguo; Chai, JingRui; Chen, Jing; Liu, Jing; Wang, Wenli; Li, Wei; Wang, YuJun; Fu, Wei; Liu, Jinggen published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery, Structure-Activity Relationship, and Mechanistic Studies of 1-((3R,4S)-3-((Dimethylamino)methyl)-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)-2-(2,4,5-trifluorophenyl)ethan-1-one as a Novel Potent Analgesic》.Synthetic Route of C7H7BrO The article contains the following contents:

Management of moderate to severe pain relies heavily on opioid analgesics such as morphine, oxycodone, and fentanyl in clinics. However, their prolonged use was associated with undesirable side effects. Many new strategies to reduce side effects have been proposed, but not without disadvantages. Using a hot plate model as a phenotypic screening method, our studies identified (3R,4S)-9d (I) with a new scaffold as a potent analgesic with ED50 values of 0.54 mg/kg and 0.021 mg/kg in hot plate and antiwrithing models, resp. Mechanistic studies showed that it elicited its analgesic effect via the active metabolite (3R,4S)-10a (II). The mechanism of (3R,4S)-10a-induced activation of the μ opioid receptor (MOR) was proposed by means of mol. dynamics (MD) simulation. In the part of experimental materials, we found many familiar compounds, such as 1-Bromo-3-methoxybenzene(cas: 2398-37-0Synthetic Route of C7H7BrO)

1-Bromo-3-methoxybenzene(cas: 2398-37-0) is a compound useful in organic synthesis and other chemical processes. It is an intermediate used for pharmaceuticals, perfumes and agrochemicals.Synthetic Route of C7H7BrO

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Design, synthesis and biological activity of bicyclic carboxamide derivatives as TRK inhibitors》 was published in Bioorganic & Medicinal Chemistry in 2020. These research results belong to Sun, Minghao; Cai, Shi; Li, Pei; Zhang, Fangqing; Zhang, Huibin; Zhou, Jinpei. Name: N,N-Dimethylformamide Dimethyl Acetal The article mentions the following:

′Precision medicine′ is characterized by the selection of targeted drugs based on genetic characteristics of tumor from patients, and no longer selected basis on the type of cancer tissue. Among them, clin. trials on neurotrophin receptor tyrosine kinase genes (NTRK) have proven that great anti-cancer effects can be achieved in different cancer patients. In this paper, a novel total of twenty compounds in two categories have been designed and synthesized. Results of Kinase activity tests showed that I-9 (TRKA IC50 = 1.3 nM, TRKAG595R IC50 = 6.1 nM), and I-10 (TRKA IC50 = 1.1 nM, TRKAG595R IC50 = 5.3 nM) have significant inhibitory activity, and results of cell viability tests showed that I-9 and I-10 can maintain a great inhibitory effect in the Ba/F3-LMNA-NTRK1 cell line(IC50 = 81.1 nM and 41.7 nM, resp.), and in Ba/F3-LMNA-NTRK1-G595R cell line, I-9 and I-10 have better cell activity (IC50 was 495.3 nM, 336.6 nM, resp.) compared with the pos. control drug LOXO-101. These results indicate that I-9 and I-10 are potential TRK inhibitors that can overcome drug resistance for further investigation. In addition to this study using N,N-Dimethylformamide Dimethyl Acetal, there are many other studies that have used N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Name: N,N-Dimethylformamide Dimethyl Acetal) was used in this study.

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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.Name: N,N-Dimethylformamide Dimethyl Acetal

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The author of 《An Efficient Ni/Pd Catalyzed Chemoselective Synthesis of 1,3,2-Benzodiazaborininones from Boronic Acids and Anthranilamides》 were Wang, Hao-Jie; Zhang, Mo; Li, Wen-Jing; Ni, Yu; Lin, Jin; Zhang, Zhan-Hui. And the article was published in Advanced Synthesis & Catalysis in 2019. Application of 10365-98-7 The author mentioned the following in the article:

An efficient Ni/Pd catalyzed chemoselective synthesis of 1,3,2-benzodiazaborininones from boronic acids and anthranilamide was developed. This protocol allows for the rapid and straightforward access to a wide range of 1,3,2-benzodiazaborininones at room temperature with excellent functional group tolerance. The experimental part of the paper was very detailed, including the reaction process of 3-Methoxyphenylboronic acid(cas: 10365-98-7Application of 10365-98-7)

3-Methoxyphenylboronic acid(cas: 10365-98-7) belongs to boronic acids. Boronic acids are mild Lewis acids which are generally stable and easy to handle, making them important to organic synthesis.Application of 10365-98-7

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Ether – Wikipedia,
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The author of 《Synthesis and Cardiotropic Activity of 1-(Methoxybenzyl)-4-{2-[(Methoxybenzyl)Amino]Ethyl}Piperazines》 were Mokrov, G. V.; Likhosherstov, A. M.; Barchukov, V. V.; Stolyaruk, V. N.; Tsorin, I. B.; Vititnova, M. B.; Rebeko, A. G.; Kryzhanovskii, S. A.; Gudasheva, T. A.. And the article was published in Pharmaceutical Chemistry Journal in 2019. Recommanded Product: 2-Methoxybenzaldehyde The author mentioned the following in the article:

A group of new 1-(methoxybenzyl)-4-{2-[(methoxybenzyl)amino]ethyl}piperazines I (R1 = R2 = R3 = R4 = H, OCH3) were synthesized. The relationship of the structure of the triazaalkane linker and the cardiotropic activity in a series of these compounds was compared with that of previously studied linear and cyclic methoxyphenyltriazaalkanes. The most active compound in the group was I (R1 = H; R2 = R3 = R4 = OCH3) with statistically significant antiarrhythmic activity in aconitine and CaCl2 arrhythmia models. The experimental part of the paper was very detailed, including the reaction process of 2-Methoxybenzaldehyde(cas: 135-02-4Recommanded Product: 2-Methoxybenzaldehyde)

2-Methoxybenzaldehyde(cas: 135-02-4) is found in cassia oil, cinnamon bark, and cinnamon bark oil. It is a clear colorless liquid with a strong aroma. It has been used to examine the acaricidal activity of Periploca sepium oil and its active component against Tyrophagus putrescentiae.Recommanded Product: 2-Methoxybenzaldehyde

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The author of 《Synthesis, spectral properties and corrosion inhibition efficiency of new ethyl hydrogen [(methoxyphenyl) (methylamino) methyl] phosphonate derivatives: Experimental and theoretical investigation》 were Djenane, Meriem; Chafaa, Salah; Chafai, Nadjib; Kerkour, Rachida; Hellal, Abdelkader. And the article was published in Journal of Molecular Structure in 2019. Reference of 2-Methoxybenzaldehyde The author mentioned the following in the article:

Two new α-aminophosphonic acids, Et H [(2-methoxyphenyl)(methylamino) Me]phosphonate (2-EHMAP) and Et H [(3-methoxyphenyl)(methylamino) Me]phosphonate (3-EHMAP) were synthesized by the reaction between Methylamine, 2- or 3-Methoxybenzaldehyde and Diethylphosphite in THF solution with FeCl3. The structures of the title compounds were determined by UV-visible, FTIR, 1H, 13C, 31P NMR and MS spectra and confirmed by centesimal anal. Their inhibition efficiency on the corrosion of mild steel in 1 M HCl and 0.5M H2SO4 solutions was studied by weight loss, polarization curves and electrochem. impedance spectroscopy (EIS). The surface morphol. of XC38 simple was studied by SEM and Atomic Force Microscopy (AFM). Both mols. are mixed inhibitors and that their adsorptions on the surface of mild steel obey the Langmuir isotherm and that the 2-EHMAP exhibit better inhibition efficiency. Quantum chem. calculations were performed by using DFT to study the influence of mol. structure on the inhibition efficiency; theor. findings are in good accord with the exptl. observations. In the part of experimental materials, we found many familiar compounds, such as 2-Methoxybenzaldehyde(cas: 135-02-4Reference of 2-Methoxybenzaldehyde)

2-Methoxybenzaldehyde(cas: 135-02-4) is used as a flavor agent in foods including nonalcoholic/alcoholic beverages, baked goods, chewing gum, confections, frozen dairy, fruit ices, hard/soft candy, instant coffee, tea, Jams, jellies, and milk products. It also has been used to obtain good enantioselectivities using Cu(OAc)(2)-bis(oxazolines) via hydrogen bonding in asymmetric Henry reaction.Reference of 2-Methoxybenzaldehyde

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Ether – Wikipedia,
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The author of 《Synthesis of nonembryonic synseeds in Hemidesmus indicus R. Br.: short term conservation, evaluation of phytochemicals and genetic fidelity of the regenerants》 were Yadav, V.; Shahzad, A.; Ahmad, Z.; Sharma, S.; Parveen, S.. And the article was published in Plant Cell, Tissue and Organ Culture in 2019. Computed Properties of C8H8O3 The author mentioned the following in the article:

Non-embryogenic, synthetic seeds were formed by encapsulating the nodal segments (NS) of Hemidesmus indicus R. Br. in calcium alginate hydrogel comprising of MS basal medium for short-term conservation. A 3% sodium aliginate (SA) with 100 mM CaCl2 was found most suitable for the preparation of isodiametrical beads. Highest shoot regrowth (84.50 ± 0.35%) was recorded when the gelling matrix, i.e. 3% SA in Murashige and Skoog (MS) basal medium was supplemented with 5.0μM 6-benzyladenine (BA) + 0.5μM indole-3-butyric acid (IBA) and inoculated onto the nutrient medium comprised of MS + 5.0μM BA gave 5.53 ± 0.096 shoots/encapsulated NS. Rooting in microshoots was obtained on the half strength liquid MS + 0.1μM IBA. Plantlets achieved from preserved synthetic seeds were acclimatized and relocated in the natural condition successfully with the immortality rate of 89.3%. During the days of acclimatization, the obtained plants were subjected for the assessment of their pigment content and biochem. assay. The results obtained clearly exhibited the enhancement in the pigment content as the acclimatization period increases. A significant rise and fall in Superoxide dismutase (SOD), Catalase (CAT), Glutathione reductase (GR) and Ascorbate peroxidase (APX) were evident, suggesting their preventive role against the several environmental stresses during the acclimatization of the plant. In the part of experimental materials, we found many familiar compounds, such as 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Computed Properties of C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Computed Properties of C8H8O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

The author of 《Rigid-Strut-Containing Crown Ethers and [2]Catenanes for Incorporation into Metal-Organic Frameworks》 were Zhao, Yan-Li; Liu, Lihua; Zhang, Wenyu; Sue, Chi-Hau; Li, Qiaowei; Miljanic, Ognjen S.; Yaghi, Omar M.; Stoddart, J. Fraser. And the article was published in Chemistry – A European Journal in 2009. Related Products of 74029-40-6 The author mentioned the following in the article:

To introduce crown ethers into the struts of metal-organic frameworks (MOFs), general approaches were developed for the syntheses of bis(4-carboxyphenylethynyl)-substituted dibenzo[30]crown-10 (DB30C10DA), di-2,3-naphtho[30]crown-10 (DN30C10DA), bisparaphenylene[34]crown-10 (BPP34C10DA), and 1,5-naphthoparaphenylene[36]crown-10 (NPP36C10DA). These novel crown ethers not only retain the characteristics of their parent crown ethers since they can both bind cationic guests and serve as templates for making mech. interlocked mols. (MIMs), such as catenanes and rotaxanes, but they also present coordination sites to connect with secondary building units (SBUs) in MOFs. The binding behavior of BPP34C10DA with 1,1′-dimethyl-4,4′-bipyridinium bis(hexafluorophosphate) (DMBP·2PF6) was studied by UV/visible, fluorescence, and NMR spectroscopic techniques. The crystal superstructure of the complex DMBP·2PF6⊂ BPP34C10DA was determined by x-ray crystallog. The NPP36C10DA-based [2]catenane (H2NPP36C10DC-CAT·4PF6) and the BPP34C10DA-based [2]catenane (H2BPP34C10DC-CAT·4PF6) were prepared in DMF at room temperature by the template-directed clipping reactions of the planarly chiral NPP36C10DA and BPP34C10DA with 1,1′-[1,4-phenylenebis(methylene)]di-4,4′-bipyridin-1-ium bis(hexafluorophosphate) and 1,4-bis(bromomethyl)benzene, resp. The crystal structure of the di-Me ester (BPP34C10DE-CAT·4PF6) of the [2]catenane H2BPP34C10DC-CAT·4PF6 was studied by x-ray crystallog., which revealed racemic R and S isomers with planar chirality present in the crystal in a 1:1 ratio. These crown ether based struts serve as excellent organic ligands to bind with transition metal ions in the construction of MOFs: the crown ethers BPP34C10DA and NPP36C10DA in the presence of Zn(NO3)2·4 H2O afforded the MOF-1001 and MOF-1002 frameworks, resp. The crystal structures of MOF-1001 and MOF-1002 are both cubic and display Fm3̅m symmetry. The unit cell parameter of the metal-organic frameworks is a 52.9345 Å. Since such MOFs, containing electron-donating crown ethers are capable of docking incoming electron-accepting substrates in a stereoelectronically controlled fashion, the present work opens a new access to the preparation and application of MOFs.1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Related Products of 74029-40-6) was used in this study.

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Related Products of 74029-40-6Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem