Month: September 2022

COA of Formula: C8H12ClNO2《Effect of pyridoxal phosphate on toxicity and antitumor activity of mitomycin C and 4-deoxypyridoxine hydrochloride in rats. Preliminary observations》 was published in 1966. The authors were Fujimoto, Shigeru, and the article was included in《Cancer Chemotherapy Rept.》. The author mentioned the following in the article:

In rats bearing ascites hepatoma, combined therapy with mitomycin C and vitamin B₆ arrested leukopenia, but failed to alleviate liver dysfunction and anemia. The growth of subcutaneous tumors was not stimulated by vitamin B₆. Tumor growth was inhibited for 2 weeks after administration of 4-deoxypyridoxine-HCl, an antagonist of vitamin B₆, to rats fed a diet free of vitamin B₆. The administration of vitamin B₆ did not lessen the effect of mitomycin C on subcutaneous tumors in rats. Vitamin B₆ might counteract leukopenia, a side effect of antitumor agents, by an improvement in metabolism of proteins. And 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) was used in the research process.

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 COA of Formula: C8H12ClNO2) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

Reference:
Alcohol – Wikipedia,
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Deng, Xiaolong;Tan, Siqiao;Yuan, Chen;Yuan, Zheming published 《QSAR Study on the toxicities of alcohols and phenols based on minimal redundancy maximal relevance and distance correlation feature selection methods》 in 2016. The article was appeared in 《Research Journal of BioTechnology》. They have made some progress in their research.Formula: C10H22O The article mentions the following:

Toxicity prediction can provide important information for environmental protection. The toxicity predictions of 228 alcs. and phenols were performed by quant. structure-activity relationship (QSAR). Feature selection can reduce the training time of modeling, improve the prediction accuracy and enhance the interpretability of a model. Both dependent variables (toxicity) and independent variables (mol. descriptors) of the QSAR data sets are usually continuous variables. The well-known feature selection method, minimal redundancy maximal relevance (mRMR) can eliminate redundancy and extract relevant features effectively but can only be applied to discrete dependent variables. The distance correlation (dCor) can detect the nonlinear correlation of two continuous variables. In the present work, a new mRMR-dCor feature selection method was developed by combining mRMR with dCor and used to construct the QSAR models for three datasets based on the retained mol. descriptors and support vector regression (SVR). mRMR-dCor feature selection method showed better predication performance (the Q2 of three datasets are 0.954, 0.941 and 0.981 resp.) than the reference feature selection methods and other methods reported in literature. In all, mRMR-dCor feature selection has a promising application prospect in the numerous domains of high dimensional feature selections such as QSAR. To complete the study, the researchers used 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Formula: C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

della Cuna, Francesco Saverio Robustelli;Giovannini, Annalisa;Braglia, Luca;Sottani, Cristina;Grignani, Elena;Preda, Stefania published 《Chemical Composition of the Essential Oils From Leaves and Flowers of Passiflora sexocellata and Passiflora trifasciata》. The research results were published in《Natural Product Communications》 in 2021.Computed Properties of C10H22O The article conveys some information:

The chem. composition of the essential oils of Passiflora sexocellata and Passiflora trifasciata (Passifloraceae, subgenus Decaloba) were studied for the first time. Essential oils were obtained by steam distillation of fresh leaves and flowers. The chem. composition was assessed by using GC/FID and GC/MS. For P. sexocellata leaves, the optimized anal. procedure allowed the identification of 33 compounds (75% of the total oil composition) and 29 (74% of the total oil composition) in flowers. Regarding P. trifasciata, 35 compounds (76% of the total oil composition) were detected in leaves and 32 (71% of the total oil composition) in flowers. Terpenes and mono unsaturated hydrocarbons were quantified as major constituents of the volatile fraction in flowers (17.0 to 52.6%) and (13.7 to 20.0%). Organic acids were detected in both leaves and flowers with a percentage ranging from 3.3% to 32.0%. Aldehydes were also detected in leaves (12.6 to 41.4%) and in flowers (1.4 to 5.1%). The GC/MS analyzes allowed alcs. to be detected in leaves (20.6 to 42.9%) and in flowers (8.2 to 18.1%). These compounds represent the most important feature of the large Passiflora family. Moreover, a critical role in the coevolved mechanisms of pollinators′ interaction has been investigated.3,7-Dimethyloctan-3-ol (cas: 78-69-3) were involved in the experimental procedure.

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Computed Properties of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Wu, Fanglan;Wei, Qiusi;Yang, Mei;Deng, Rongyan;Liu, Shinan published 《Analysis of chemical components in two tree species of magnoliaceae, Magnolia sumatrana var. glauca (Blume) Figlar & Noot and Magnolia hypolampra (Dandy) Figlar》 in . The article was appeared in 《Natural Product Research》. They have made some progress in their research.Reference of 2,2-Methylenebis(6-tert-butyl-p-cresol) The article mentions the following:

The essential oils from roots, branches, leaves and bark of Magnolia sumatrana var. glauca (Blume) Figlar & Noot and Magnolia hypolampra (Dandy) Figlar were extracted by ultrasonic-assisted extraction and the chems. were determined by gas chromatog.-mass spectroscopy (GC-MS). The major constitutes of M. sumatrana var. glauca were trans-cinnamaldehyde (27.55%), caryophyllene (1.20-10.14%), (+)-bulnesol (9.70%), α-caryophyllene (2.35-6.35%), α-eudesmol (1.08-6.17%). M. hypolampra was characterized by the presence of safrole (0.18-35.01%), (+) cycloisosativene (18.70%), oxirane, hexadecyl- (0.72-12.79%), β-cubebene (1.53-8.90%), (Z)-14-tricosenyl formate (8.65%). This is the first study of the composition of essential oils from the roots, branches and bark of M. sumatrana var. glauca and the roots of M. hypolampra, and some compounds were being described for the first time. Combined with present results and literatures, phytochems. may be affected by multi-factors such as organs, growing location, and extraction methods, providing more approaches for further exploration of the non-wood resources of forestry species. To complete the study, the researchers used 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

Reference of 2,2-Methylenebis(6-tert-butyl-p-cresol)2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

Reference:
Alcohol – Wikipedia,
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Computed Properties of C16H34OIn 2021, Jiang, Yuhang;Boorboori, Mohammad Reza;Xu, Yina;Lin, Wenxiong published 《The appearance of volatile aromas in Tieguanyin tea with different elevations》. 《Journal of Food Science》published the findings. The article contains the following contents:

Chinese people have consistentlypreferred high mountain tea because specific flavors are memorable for them, and also, people have traditionally considered this type of tea to be good for health. Tieguanyin is one of the famous traditional Chinese tea that has ever-changing aromas. To illustrate the various characteristics in volatile fragment compounds from Tieguanyin tea, fresh tea leaves collected from different elevations (450, 650, and 900 m) were detected using GC-MS by solid-liquid extraction The results showed that volatile aromatic compounds, such as benzyl alc., Ph ethanol, and acetophenone, were the most abundant in tea leaves located with high elevation. Meanwhile, 1-hexanol, 1-nananol, and nanoic acid, as a type of aliphatic aroma, were more prevalent in low-elevation tea orchards. Catechols and alkaloids are largely cumulated in low- and high-elevation tea leaves, resp. Our findings also showed that elemene was widely consisted of high-elevation tea metabolites. It provided practicality for the preparation of tea manufacturing in major Tieguanyin tea-producing regions. And 2-Hexyl-1-decanol (cas: 2425-77-6) was used in the research process.

2-Hexyl-1-decanol(cas: 2425-77-6) may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME). Computed Properties of C16H34O

Reference:
Alcohol – Wikipedia,
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Ai, Zhengdong;Ma, Chong;Wan, Ruiming;Yin, Jingyi;Li, Guiming;Li, Yan;Chen, Li published 《Anticancer Activity and Molecular Mechanism of Momordica cochinchinensis Seed Extract in Chronic Myeloid Leukemia Cells》 in 2022. The article was appeared in 《Nutrition and Cancer》. They have made some progress in their research.Related Products of 119-47-1 The article mentions the following:

Targeting Bcr-Abl is the key to the treatment of chronic myeloid leukemia. Despite great progress in the treatment of patients with chronic CML, advanced CML patients are still unable to obtain effective and safe drugs. Momordica cochinchinensis seed is the dried ripe seed of Momordica cochinchinensis, which is a kind of fruit and consumed for dietary as well as medicinal uses. This study aimed to investigate the anticancer activity of Momordica cochinchinensis seed extract (MCSE) in CML cells. CML cells (KBM5 and KBM5-T315I) were treated with MCSE and analyzed for growth, apoptosis, and signal transduction. Nude mouse xenograft model was used to evaluate the antitumor activity of MCSE In Vivo. MCSE significantly reduced the cell viability of CML cells, triggered G0/G1 phase arrest in KBM5 cells and S phase arrest in KBM5-T315I cells. Concurrently, MCSE caused the activation of caspase-3, -8, -9, PARP and the degradation of Mcl-1, ultimately triggering endogenous and exogenous cell apoptosis. Meanwhile, MCSE downregulated Bcr-Abl levels and its downstream signaling pathways. Addnl., MCSE inhibited the growth of CML cells in nude mouse xenografts. Taken together, this study demonstrated the anticancer mechanism of MCSE, namely blocking Bcr-Abl and downregulating Mcl-1, and finally induced apoptosis of CML cells. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

Related Products of 119-47-12,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

Reference:
Alcohol – Wikipedia,
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Huang, Jiuzhong;Ouyang, Lu;Li, Jianxiao;Zheng, Jia;Yan, Wuxin;Wu, Wanqing;Jiang, Huanfeng published 《B₂pin₂-Mediated Palladium-Catalyzed Diacetoxylation of Aryl Alkenes with O₂ as Oxygen Source and Sole Oxidant》 in 2018. The article was appeared in 《Organic Letters》. They have made some progress in their research.Electric Literature of C14H14O2 The article mentions the following:

A novel palladium-catalyzed alkene diacetoxylation with dioxygen (O₂) as both the sole oxidant and oxygen source is developed, which was identified by ¹⁸O-isotope labeling studies. Control experiments suggested that bis(pinacolato)diboron (B₂pin₂) played a dominant intermediary role in the formation of a C-O bond. This method displayed good functional group tolerance with moderate to excellent yields and could be successfully applied to the late-stage modification of natural products. Furthermore, an atm. pressure of dioxygen enhances the practicability of the protocol. To complete the study, the researchers used rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas: 579-43-1 Electric Literature of C14H14O2) has been used in the preparation of trans-methyl meso-hydrobenzoin phosphite.

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Carestia, Anthony M.;Ravelli, Davide;Alexanian, Erik J. published 《Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals》 in 2018. The article was appeared in 《Chemical Science》. They have made some progress in their research.SDS of cas: 78-69-3 The article mentions the following:

Reagent-dictated site selectivity to intermol. aliphatic C-H functionalization using nitrogen-centered amidyl radicals were introduced. Simple modifications of the amide lead to high levels of site selectivity in intermol. C-H functionalizations across a range of simple and complex substrates. DFT calculations demonstrate that the steric demand of the reacting nitrogen-centered radical is heavily affected by the substitution pattern of the starting amide. Optimization of transition state structures consistently indicated higher reagent-dictated steric selectivities using more hindered amides, consistent with exptl. results. The experimental procedure involved many compounds, such as 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.SDS of cas: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

SDS of cas: 80-46-6《Nickel Hydride Catalyzed Cleavage of Allyl Ethers Induced by Isomerization》 was published in 2021. The authors were Kathe, Prasad M.;Berkefeld, Andreas;Fleischer, Ivana, and the article was included in《Synlett》. The author mentioned the following in the article:

This report discloses the deallylation of O-allyl functional group containing compounds ROCH₂CHCH₂ (R = 4-chlorophenyl, (3S)-3,7-dimethyloct-6-en-1-yl, 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl, etc.) and N-allyl functional group containing compound N-Allyl-N-methylbenzamide by using a combination of a Ni-H precatalyst and excess Bronsted acid. Key steps are the isomerization of the O- or N-allyl group through Ni-catalyzed double-bond migration followed by Bronsted acid induced O/N-C bond hydrolysis. A variety of functional groups are tolerated in this protocol, highlighting its synthetic value. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. SDS of cas: 80-46-6

Reference:
Alcohol – Wikipedia,
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Gonzalez Escobedo, Jose Luis;Maekelae, Eveliina;Neuvonen, Jouni;Uusi-Kyyny, Petri;Lindblad, Marina;Karinen, Reetta;Puurunen, Riikka L. published 《Hydrodeoxygenation of Propylphenols on a Niobia-Supported Platinum Catalyst: Ortho, Meta, Para Isomerism, Reaction Conditions, and Phase Equilibria》. The research results were published in《Advanced Sustainable Systems》 in 2020.HPLC of Formula: 80-46-6 The article conveys some information:

The alkylphenols found in liquefied lignocellulose could become a source of bio-based aromatic hydrocarbons for fuel components. In the hydrodeoxygenation (HDO) of alkylphenols, hydroxyl groups must be removed while avoiding the hydrogenation of the aromatic ring. Here, the HDO of propylphenols is studied using a Pt/Nb₂O₅ catalyst and n-tetradecane solvent. HDO experiments are performed using different reaction conditions of batch residence time (0-161 min gcat greactant^-1), pressure (20-30 bar H₂), and temperature (300-375 °C). HDO is studied with ortho-, meta-, and para-propylphenol. The influence of vapor-liquid equilibrium and chem. equilibrium are assessed using thermodn. calculations Almost full deoxygenation is attained in the experiments; the main products are propylbenzene and propylcyclohexane. The study finds that, of the isomers, 4-propylphenol is the most favorable for forming propylbenzene (77% maximum selectivity), whereas 2-propylphenol is the least favorable (55% maximum selectivity). Addnl., the reactivity of propylbenzene in the test conditions is detrimental to its selectivity after 5 min gcat greactant^-1. Finally, the temperature at which the process favors propylbenzene is found to shift as a function of pressure; at 20 bar, propylbenzene is favored at 350 °C and at 30 bar, it is favored at 375 °C.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group.Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. HPLC of Formula: 80-46-6

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts