Month: October 2022

《Mechanistic investigation into phenol oxidation by IBX elucidated by DFT calculations》 was written by Kaur, Amritpal; Ariafard, Alireza. Product Details of 150-19-6 And the article was included in Organic & Biomolecular Chemistry in 2020. The article conveys some information:

D. functional theory (DFT) at the SMD/M06-2X/def2-TZVP//SMD/M06-2X/LANL2DZ(d),6-31G(d) level was used to explore the regioselective double oxidation of phenols by a hypervalent iodine(V) reagent (IBX) to give o-quinones. The oxidative dearomatization commences with the ligand exchange between IBX and phenol, yielding a phenolate complex, followed by the first redox process, which reduces iodine(V) to iodine(III). Both the processes (the ligand exchange and the first redox reaction) were found to be mediated by a less stable isomer of iodine(V) species. We found that although the first redox process preferentially proceeds via an associative pathway, an electron withdrawing substituent on the phenol ring decreases its accessibility. The inspection of the electronic structure of the redox transition state indicates that the phenolate involved in the iodine(V) reduction has some phenoxenium character. The intrinsic stability of a phenoxenium ion is calculated to be highly sensitive to the substituent on the phenol ring. Since the electron withdrawing substituents considerably decrease the stability of the phenoxenium, they render the iodine(V) to iodine(III) reduction energy consuming. Once the first redox step has completed, a catechol-iodine(III) complex is formed, from which the second redox process produces the final o-quinone product via a carboxylate-assisted transition structure. This transition structure gains stability by hydrogen bond interaction between the catechol OH and carboxylate group. Such an interaction results in the phenolate not having any phenoxenium character in the transition structure, thus making the activation barrier to the second redox step independent from the substituent on the phenol ring. The results came from multiple reactions, including the reaction of m-Methoxyphenol(cas: 150-19-6Product Details of 150-19-6)

m-Methoxyphenol(cas: 150-19-6) may be used as an analytical standard for the determination of the analyte in wine, coffee beans, wood samples, and mainstream smoke by gas chromatography (GC) based techniques.Product Details of 150-19-6

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

《Topical preparations for the treatment of mild-to-moderate acne vulgaris: systematic review and network meta-analysis.》 was written by Stuart, B; Maund, E; Wilcox, C; Sridharan, K; Sivaramakrishnan, G; Regas, C; Newell, D; Soulsby, I; Tang, K F; Finlay, A Y; Bucher, H C; Little, P; Layton, A M; Santer, M. Application of 106685-40-9 And the article was included in The British journal of dermatology in 2021. The article conveys some information:

BACKGROUND: Acne is very common and can have a substantial impact on wellbeing. Guidelines suggest first-line management with topical treatments, but there is little evidence regarding which treatments are most effective. OBJECTIVES: To identify the most effective and best tolerated topical treatments for acne using network meta-analysis. METHODS: CENTRAL, MEDLINE, Embase and World Health Organization Trials Registry were searched from inception to June 2020 for randomized trials that included participants with mild/moderate acne. Primary outcomes were self-reported improvement in acne, and trial withdrawal. Secondary outcomes included change in lesion counts, Investigator’s Global Assessment, change in quality of life and total number of adverse events. Network meta-analysis was undertaken using a frequentist approach. Risk of bias was assessed using the Cochrane Risk of Bias Tool and confidence in evidence was assessed using CINeMA. RESULTS: A total of 81 papers were included, reporting 40 trials with a total of 18 089 participants. Patient Global Assessment of Improvement was reported in 11 trials. Based on the pooled network estimates, compared with vehicle, benzoyl peroxide (BPO) was effective (35% vs. 26%) for improving self-reported acne. The combinations of BPO with adapalene (54% vs. 35%) or with clindamycin (49% vs. 35%) were ranked more effective than BPO alone. The withdrawal of participants from the trial was reported in 35 trials. The number of patients withdrawing owing to adverse events was low for all treatments. Rates of withdrawal were slightly higher for BPO with adapalene (2·5%) or clindamycin (2·7%) than BPO (1·6%) or adapalene alone (1·0%). Overall confidence in the evidence was low. CONCLUSIONS: Adapalene in combination with BPO may be the most effective treatment for acne but with a slightly higher incidence of withdrawal than monotherapy. Inconsistent reporting of trial results precluded firmer conclusions. In the part of experimental materials, we found many familiar compounds, such as 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Application of 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.Application of 106685-40-9

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

《Preparation and evaluation of adapalene nanostructured lipid carriers for targeted drug delivery in acne》 was written by Ahmad Nasrollahi, Saman; Koohestani, Faezeh; Naeimifar, Atefeh; Samadi, Aniseh; Vatanara, Alireza; Firooz, Alireza. HPLC of Formula: 106685-40-9 And the article was included in Dermatologic Therapy in 2021. The article conveys some information:

Adapalene (ADA) is believed to be one of the topical treatments utilized commonly in case of acne. Nanostructured lipid carriers (NLCs) have been established as an effective carrier system with certain advantages, for instance increased solubility, drug targeting, controlled drug release, and stability of ADA. This study was conducted to obtain the formulation with a good therapeutic property. All formulations were formed by probe sonicator and its characterizations were analyzed. Finally, the therapeutic effects of 0.1% ADA-loaded nanostructured lipid carriers (NLC-ADA) were evaluated. This formulation had a great entrapment efficiency (EE) that illustrated a controlled drug release profile. A pilot clin. evaluation conducted on 15 patients (age 25.23 ± 12.24 years) with mild to moderate acne vulgaris lesions. The results demonstrated significant reduction in acne severity index and the number of inflammatory and noninflammatory lesions after 12 wk of treatment (P-value .02, .04, and .01, resp.). Subjective results were confirmed with significant improvement in size and intensity of porphyrin production in pilosebaceous follicles (P-value = .03). The study demonstrated that the formulation was safe and revealed the proper improvement rate of acne lesions after 12 wk. In the part of experimental materials, we found many familiar compounds, such as 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

《PEGylated AdipoRon derivatives improve glucose and lipid metabolism under insulinopenic and high-fat diet conditions》 was written by Onodera, Toshiharu; Ghazvini Zadeh, Ebrahim; Xu, Peng; Gordillo, Ruth; Guo, Zheng; Joffin, Nolwenn; Yu, Biao; Scherer, Philipp E.; Li, Wen-hong. Synthetic Route of C9H19NO4 And the article was included in Journal of Lipid Research in 2021. The article conveys some information:

The pleiotropic actions of adiponectin in improving cell survival and metabolism have motivated the development of small-mol. therapeutic agents for treating diabetes and lipotoxicity. AdipoRon is a synthetic agonist of the adiponectin receptors, yet is limited by its poor solubility and bioavailability. In this work, we expand on the protective effects of AdipoRon in pancreatic β-cells and examine how structural modifications could affect the activity, pharmacokinetics, and bioavailability of this small mol. We describe a series of AdipoRon analogs containing amphiphilic ethylene glycol (PEG) chains. Among these, AdipoRonPEG5 induced pleiotropic effects in mice under insulinopenic and high-fat diet (HFD) conditions. While both AdipoRon and AdipoRonPEG5 substantially attenuate palmitate-induced lipotoxicity in INS-1 cells, only AdipoRonPEG5 treatment is accompanied by a significant reduction in cytotoxic ceramides. In vivo, AdipoRonPEG5 can substantially reduce pancreatic, hepatic, and serum ceramide species, with a concomitant increase in the corresponding sphingoid bases and improves insulin sensitivity of mice under HFD feeding conditions. Furthermore, hyperglycemia in streptozotocin (STZ)-induced insulinopenic adiponectin-null mice is also attenuated upon AdipoRonPEG5 treatment. Our results suggest that AdipoRonPEG5 is more effective in reducing ceramides and dihydroceramides in the liver of HFD-fed mice than AdipoRon, consistent with its potent activity in activating ceramidase in vitro in INS-1 cells. Addnl., these results indicate that the beneficial effects of AdipoRonPEG5 can be partially attributed to improved pharmacokinetics as compared with AdipoRon, thus suggesting that further derivatization may improve affinity and tissue-specific targeting. In the experimental materials used by the author, we found tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Synthetic Route of C9H19NO4)

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. Synthetic Route of C9H19NO4 The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.

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

Park, Yunjeong; Lee, Ji Sun; Ryu, Jae-Sang published their research in Advanced Synthesis & Catalysis in 2021. The article was titled 《Gold(I)-Catalyzed Intramolecular Dehydrative Amination of Sulfamate Esters Tethered to Allylic Alcohols: A Strategy for the Synthesis of Cyclic Sulfamidates》.COA of Formula: C9H10O2 The article contains the following contents:

An efficient synthesis protocol for cyclic sulfamidates I [R1 = t-Bu, n-pentyl, cyclohexyl, etc.; R2 = H; R3 = H, Me; R4 = H, Me; R5 = H, Me] was developed via catalytic intramol. cyclizations of sulfamate esters tethered to allylic alcs. The reactions proceeded smoothly at room temperature in the presence of (IPr)AuCl (5 mol%) and AgBF4 (5 mol%). This protocol featured good to excellent yields, high selectivity, broad substrate scope, and mild reaction conditions. This method was also applicable to the synthesis of a seven-membered sulfamidate.2-(Benzyloxy)acetaldehyde(cas: 60656-87-3COA of Formula: 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.COA of Formula: C9H10O2

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

Lin, Yeo-Sin; Abate, Seid Yimer; Wang, Chun-I.; Wen, Yuh-Sheng; Chen, Chih-I.; Hsu, Chao-Ping; Chueh, Chu-Chen; Tao, Yu-Tai; Sun, Shih-Sheng published an article in 2021. The article was titled 《Low-Cost Hole-Transporting Materials Based on Carbohelicene for High-Performance Perovskite Solar Cells》, and you may find the article in ACS Applied Materials & Interfaces.SDS of cas: 101-70-2 The information in the text is summarized as follows:

Two hole-transporting materials (HTMs) based on carbohelicene cores, CH1 and CH2, are developed and used in fabricating efficient and stable perovskite solar cells (PSCs). Owing to the rigid conformation of the helicene core, both compounds possess unique CH-π interactions in the crystalline packing pattern and good phase stability, which are distinct from the π-π intermol. interactions of conventional planar and spiro-type mols. PSCs based on CH1 and CH2 as HTMs deliver excellent device efficiencies of 19.36 and 18.71%, resp., outperforming the control device fabricated with spiro-OMeTAD (18.45%). Furthermore, both PSCs exhibit better ambient stability, with 90% of initial performance retained after aging with a 50-60% relative humidity at 25°C for 500 h. Due to the low production cost of both compounds, these newly designed carbohelicene-type HTMs have the potential for the future commercialization of PSCs. In addition to this study using Bis(4-methoxyphenyl)amine, there are many other studies that have used Bis(4-methoxyphenyl)amine(cas: 101-70-2SDS of cas: 101-70-2) was used in this study.

Bis(4-methoxyphenyl)amine(cas: 101-70-2) is a diphenylamine derivative used as a chemical additive for cured rubber.Bis(4-methoxyphenyl)amine is highly toxic and may potentially induce chromosome abberation.SDS of cas: 101-70-2

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

Tang, Zhiqiong; Li, Dongdong; Yue, Yidi; Peng, Dan; Liu, Lu published an article in 2021. The article was titled 《Bronsted acid catalysed chemo- and ortho-selective aminomethylation of phenol》, and you may find the article in Organic & Biomolecular Chemistry.Name: m-Methoxyphenol The information in the text is summarized as follows:

A Bronsted acid-catalyzed highly ortho-selective functionalization of free phenols e.g., Estrone with readily available N, O-acetals e.g., N-(methoxymethyl)-N-(phenylmethyl)-Benzenemethanamine under mild conditions, furnishes various corresponding aminomethylated phenol e.g., I products in moderate to excellent yields. The salient features of this transformation include mild conditions, good substrate scope, excellent ortho-selectivity, high efficiency, and ease of further transformation. In the experiment, the researchers used m-Methoxyphenol(cas: 150-19-6Name: m-Methoxyphenol)

m-Methoxyphenol(cas: 150-19-6) may be used as an analytical standard for the determination of the analyte in wine, coffee beans, wood samples, and mainstream smoke by gas chromatography (GC) based techniques.Name: m-Methoxyphenol

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

Niesert, Anne-Charlotte; Guertler, Anne; Reinholz, Markus published an article in 2022. The article was titled 《Short contact therapy with adapalen 0.3%/benzoyl peroxide 2.5% gel for maintenance after systemic isotretinoin treatment》, and you may find the article in Dermatologic Therapy.Quality Control of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid The information in the text is summarized as follows:

This study report a case of a 20-yr-old woman, Fitzpatrick skin type III, who consulted our acne outpatient clinic with a distinct acne papulopustolsa, persisting for 4 years. She presented with erythematous papules, and confluent pustules, as well as numerous open and closed comedones on her face, with her cheeks predominantly affected. Clin. findings also included multiple erythematous ice pick scars and post-inflammatory hyperpigmentation. After a thorough risk-benefit anal., systemic retinoid therapy with 20 mg isotretinoin daily was initiated under strict contraception by means of a hormonal intra-uterine device (IUD). After 4 mo of treatment, the patient presented with persistent CK elevation (1728 U/L; norm <169 U/L). They decided to use adapalen 0.3%/benzoyl peroxide 2.5% gel as a SCT, recommending a daily application with subsequent wash off after 15 min. The SCT with adapalen 0.3%/benzoyl peroxide 2.5% gel continued to show significant improvement in comedones, papules, post-inflammatory hyperpigmentation and scars. In the experiment, the researchers used many compounds, for example, 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid(cas: 106685-40-9Quality Control of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid)

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.Quality Control of 6-(3-(Adamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid

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

In 2022,Hu, Yijie; Wang, Xiaoli; Ren, Nan; Li, Na; Li, Jianyang; Chen, Jie; Zhang, Hui; Deng, Hongmei; Cao, Weiguo; Lin, Jin-Hong published an article in European Journal of Organic Chemistry. The title of the article was 《A Convenient Synthesis of Fluoroalkylated Benzimidazole- or Indole-fused Benzoxazines》.Reference of 2-Hydroxy-4-methoxybenzaldehyde The author mentioned the following in the article:

Herein, the first synthesis of fluoroalkylated benzimidazole- or indole-fused benzoxazines I (R = CF3, C2F5, C3H7; R1 = 2-OMe, 2-Br, 4-Cl, etc.) or II (R2 = H, F; R3 = H, 10-Me, 10-Br, 9,11-(Me)2) by using fluoroalkylated propiolates RCCC(O)2Me as building blocks is described. The reactions proceeded smoothly under mild conditions to give the desired products I and II in moderate to high yields. Notably, benzimidazole-fused products I were obtained by a convenient one-pot two-step process. In the part of experimental materials, we found many familiar compounds, such as 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Reference of 2-Hydroxy-4-methoxybenzaldehyde)

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.Reference of 2-Hydroxy-4-methoxybenzaldehyde

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

In 2022,Zhou, Zongtao; Cai, Zongyu; Zhang, Congzi; Yang, Benhui; Chen, Lianru; He, Yepu; Zhang, Luyong; Li, Zheng published an article in Bioorganic & Medicinal Chemistry. The title of the article was 《Design, synthesis, and biological evaluation of novel dual FFA1 and PPARδ agonists possessing phenoxyacetic acid scaffold》.Product Details of 2398-37-0 The author mentioned the following in the article:

The free fatty acid receptor 1 (FFA1/GPR40) and peroxisome proliferator-activated receptor δ (PPARδ) have been widely considered as promising targets for type 2 diabetes mellitus (T2DM) due to their resp. roles in promoting insulin secretion and improving insulin sensitivity. Hence, the dual FFA1/PPARδ agonists may exert synergistic effects by simultaneously activating FFA1 and PPARδ. The present study performed systematic exploration around previously reported FFA1 agonist compound I (lead compound), leading to the identification of a novel dual FFA1/PPARδ agonist compound II (the optimal compound), which displayed high selectivity over PPARα and PPARγ. In addition, the docking study provided detailed binding modes of the optimal compound II in FFA1 and PPARδ. Furthermore, the optimal compound II exhibited greater glucose-lowering effects than lead compound I, which might attribute to its synergistic effects by simultaneously modulating insulin secretion and resistance. Moreover, the optimal compound II has an acceptable safety profile in the acute toxicity study at a high dose of 500 mg/kg therefore, the results provided a novel dual FFA1/PPARδ agonist with excellent glucose-lowering effects in vivo. After reading the article, we found that the author used 1-Bromo-3-methoxybenzene(cas: 2398-37-0Product Details of 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.Product Details of 2398-37-0

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