Month: October 2022

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

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

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

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

Magosso, M.; van den Berg, M.; van der Schaaf, J. published an article in 2021. The article was titled 《Kinetic study and modeling of the Schotten-Baumann synthesis of peroxyesters using phase-transfer catalysts in a capillary microreactor》, and you may find the article in Reaction Chemistry & Engineering.Computed Properties of C10H20O5 The information in the text is summarized as follows:

The kinetics of the synthesis of tert-Bu peroxy-2-ethylhexanoate were investigated in a capillary microreactor. TBPEH was synthesized from 2-ethylhexanoyl chloride and tert-Bu hydroperoxide in the presence of a strong base, using the Schotten-Baumann method. The peroxyesterification reaction is always in competition with the unwanted acid chloride hydrolysis. The synthesis was carried out with and without a phase-transfer catalyst. The non-catalyzed reaction showed a low rate, which could be incremented by increasing the temperature and the liquid-liquid interfacial area or by using KOH instead of NaOH as base. The peroxyesterification and hydrolysis rates increased with temperature However, the use of KOH or the increase in interfacial area accelerated only the peroxyester formation, increasing the selectivity towards the desired product. The addition of a PTC enhanced the peroxyesterification rate without changing the hydrolysis rate. Among the screened PTCs, quaternary ammonium salts with longer alkyl chains gave the best performance, up to 25 times faster peroxyesterification. The rate increase was proportional to the PTC amount The interfacial area had the same effect as in the non-catalyzed reaction. Because of the tremendous increase in the reaction speed due to the PTC, the rate increased with slug velocity. At low slug velocity the reactants in the thin liquid film surrounding the droplets in the capillary are depleted and the peroxyesterification rate decreases. A reaction mechanism is proposed that explains the exptl. observation. The corresponding kinetic model predicts the observed reaction rate with 10% accuracy.1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Computed Properties of C10H20O5) was used in this study.

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Computed Properties of C10H20O5

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

Abdel-Wahab, Hossam M.; Ali, Amira K.; Ragaie, Maha Hussain published an article in 2022. The article was titled 《Calcipotriol: A novel tool in treatment of acne vulgaris》, and you may find the article in Dermatologic Therapy.Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid The information in the text is summarized as follows:

Retinoids and active vitamin D3 analogs regulate the proliferation and differentiation of keratinocytes. Retinoids are the main stay in the treatment of acne vulgaris through their comedolytic and anti-inflammatory effects. However, the effect of calcipotriol on the different forms of acne lesions has not been reported. This split face prospective study aimed to detect the efficacy of topical calcipotriol in the treatment of acne lesions in comparison with that of adapalene. Forty patients with acne vulgaris were treated with topical calcipotriol (0.005%) cream and 0.1% adapalene gel on the right and left sides of the face resp. Clin. and histol. assessment of the used treatments was done 2 mo after the start of treatment. Two months after treatment, there was significant reduction of all acne lesions with significant decrease of physician global assessment and patient global assessment scores (p = 0.0001) on both sides of the face with no significant difference between both sides. Histol., there was significant decrease in the d. of inflammatory infiltrate, which was more significant on the right side (p < 0.0001). Topical calcipotriol can serve a significant role in the treatment of acne vulgaris, through its anti-inflammatory effect which was comparable to that of adapalene. In addition to this study using 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid, there are many other studies that have used 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid) was used in this study.

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) may be used as a pharmaceutical reference standard for the quantification of the analyte in topical gel formulations using high-performance liquid chromatography technique.Name: 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid

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

Lee, Na Hyun; Choi, Mi Jin; Yu, Hana; Kim, Jea Il; Cheon, Hyae Gyeong published an article in 2022. The article was titled 《Adapalene induces adipose browning through the RARβ-p38 MAPK-ATF2 pathway》, and you may find the article in Archives of Pharmacal Research.HPLC of Formula: 106685-40-9 The information in the text is summarized as follows:

Abstract: Adipose browning has recently been reported to be a novel therapeutic strategy for obesity. Because the retinoic acid receptor (RAR) is a potential target involved in browning, adapalene (AD), an anti-acne agent with RAR agonism, was examined in detail for its effects on adipose browning and the underlying mechanisms in vitro and in vivo. AD upregulated the expression of adipose browning-related markers in a concentration-dependent manner, promoted mitochondrial biogenesis, increased oxygen consumption rates, and lowered lipid droplet sizes in differentiated 3T3/L1 white adipocytes. Among the three retinoic acid receptors (RARα, RARβ, and RARγ), knockdown of the gene encoding RARβ mitigated AD-induced adipose browning. Similarly, LE135 (a selective RARβ antagonist) attenuated AD action, suggesting that AD promotes adipose browning through RARβ. Sequential phosphorylation of p38 mitogen-activated protein kinase (MAPK) and activating transcription factor 2 (ATF2) was critical for AD-induced adipose browning, based on the observations that either SB203580 (a p38 MAPK inhibitor) or ATF2 siRNA reduced the effects of AD. In vivo browning effects of AD were confirmed in C57BL/6J mice and high-fat diet-induced obese (DIO) mice after oral administration of AD either acutely or chronically. This study identifies new actions of AD as an adipose browning agent and demonstrates that RARβ activation followed by increased phosphorylation of p38 MAPK and ATF2 appears to be a key mechanism of AD action. In the experimental materials used by the author, we found 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9HPLC of Formula: 106685-40-9)

6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas:106685-40-9) may be used as a pharmaceutical reference standard for the quantification of the analyte in topical gel formulations using high-performance liquid chromatography technique.HPLC of Formula: 106685-40-9

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

In 2022,Alberca, Saul; Velazquez, Marta; Trujillo-Sierra, Jose; Iglesias-Sigueenza, Javier; Fernandez, Rosario; Lassaletta, Jose M.; Monge, David published an article in Advanced Synthesis & Catalysis. The title of the article was 《Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Aliphatic N-Carbamoyl Hydrazones》.Recommanded Product: 60656-87-3 The author mentioned the following in the article:

Catalysts generated by combinations of Pd(TFA)2 and 2-pyridinecarbohydrazone ligands have been applied to 1,2 addition of arylboronic acids ArB(OH)2 to aliphatic N-carbamoyl (Cbz) hydrazones RCH:NNR1R2 (R1R2 = phthaloyl; R1 = Cbz, R2 = H), affording protected α-aryl monoalkylhydrazines RCHArNHNR1R2 with high enantioselectivities (37-99% ee). Subsequent removal of the benzyloxy carbonyl protecting group provides a direct entry to free monosubstituted hydrazines, key building blocks for the synthesis of appealing 1,2-diaza-heterocycles, amino acid derived hydrazides and other pharmacophores thereof. The experimental process involved the reaction of 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Recommanded Product: 60656-87-3)

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.Recommanded Product: 60656-87-3

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

In 2022,Zheng, Kaiting; Liu, Yaomei; Zheng, Chenggong; Yan, Fangpei; Xiao, Hua; Feng, Yi-Si; Fan, Shilu published an article in Advanced Synthesis & Catalysis. The title of the article was 《Palladium-Catalyzed Monofluoroalkylation of Aryl Iodides and Aryl Bromides with Nucleophilic Ethyl 2-Fluoro-2-(trimethylsilyl)acetate》.Recommanded Product: 2398-37-0 The author mentioned the following in the article:

A palladium-catalyzed monofluoroalkylation of aryl iodides and aryl bromides was developed using nucleophilic Et 2-fluoro-2-(trimethylsilyl)acetate as a monofluoroalkyl source. The transformation proceeded with excellent substrate scope to afford a range of monofluoroalkylated products ArCH(F)CO2Et [Ar = Ph, 2-naphthyl, 3-thienyl, etc.] in good yields under mild conditions, and it proved feasible in a gram-scale reaction. This protocol was successfully used in late-stage modification of an estrone derivative, providing a facile route for research on the discovery of biol. active compounds and high-performance materials. In the experimental materials used by the author, we found 1-Bromo-3-methoxybenzene(cas: 2398-37-0Recommanded Product: 2398-37-0)

1-Bromo-3-methoxybenzene(cas: 2398-37-0) can be used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photoinitiators and agrochemicals.Recommanded Product: 2398-37-0

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

In 2022,Steen, Jorn D.; Volker, Anouk; Duijnstee, Daniel R.; Sardjan, Andy S.; Browne, Wesley R. published an article in Journal of Physical Chemistry C. The title of the article was 《pH-Induced Changes in the SERS Spectrum of Thiophenol at Gold Electrodes during Cyclic Voltammetry》.Safety of 1,2-Diphenyldisulfane The author mentioned the following in the article:

Thiophenol is a model compound used in the study of self-assembly of arylthiols on Au surfaces. In particular, changes in the surface-enhanced Raman scattering (SERS) spectra of these self-assembled monolayers (SAMs) with a change of conditions were ascribed to, for example, differences in orientation with respect to the surface, protonation state, and electrode potential. Here, potential-induced changes in the SERS spectra of SAMs of thiophenol on electrochem. roughened Au surfaces can be due to local pH changes at the electrode. The changes observed during the potential step and cyclic voltammetry experiments are identical to those induced by acid-base switching experiments in a protic solvent. The potential-dependent spectral changes, assigned earlier to changes in mol. orientation with respect to the surface, can be ascribed to changes in the pH locally at the electrode. The pH at the electrode can change as much as several pH units during electrochem. measurements that reach pos. potentials where oxidation of adventitious H2O can occur. Also, once perturbed by applying pos. potentials, the pH at the electrode takes considerable time to recover to that of the bulk solution The changes in pH even during cyclic voltammetry in organic solvents can be equivalent to the addition of strong acids, such as CF3SO3H, and such effects should be considered in the study of the redox chem. of pH-sensitive redox systems and potential-dependent SERS in particular. In the experiment, the researchers used many compounds, for example, 1,2-Diphenyldisulfane(cas: 882-33-7Safety of 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers.Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly. Safety of 1,2-Diphenyldisulfane

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

Product Details of 135-02-4In 2020 ,《H5BW12O40-Catalyzed syntheses of 1,4-dihydropyridines and polyhydroquinolines via Hantzsch reaction: Joint experimental and computational studies》 appeared in Journal of Molecular Structure. The author of the article were Momeni, Tayebeh; Heravi, Majid M.; Hosseinnejad, Tayebeh; Mirzaei, Masoud; Zadsirjan, Vahideh. The article conveys some information:

A series of polyhydroquinoline derivatives I [RR1 = C(O)CH2C(Me2)CH2; Ar = Ph, 4-OMeC6H4, 3-O2NC6H4, etc.] was effectively synthesized via Hantzsch reaction of benzaldehydes, Et acetoacetate, dimedone and ammonium acetate in high yields in the presence of catalytic amounts of a highly neg. charged borotungstic acid H5BW12O40 in refluxing EtOH under green and mild reaction conditions. This method was also used for the synthesis of 1,4-dihydropyridines I [R = CO2Et; R1 = Me] via reaction of benzaldehydes, Et acetoacetate and ammonium acetate. Borotungstic acid is a Keggin-type heteropoly acid with a higher neg. charge and strong Bronsted acidity. Moreover, a comparative mechanistical anal. of Hantzsch reaction was made based on the structural, thermodynamical and electronic properties along with the reaction pathway using d. functional theory (DFT) and quantum theory of atoms in mols. (QTAIM) approaches.2-Methoxybenzaldehyde(cas: 135-02-4Product Details of 135-02-4) was used in this study.

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.Product Details of 135-02-4

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