Tag: 100-200

Recommanded Product: 54-17-1On March 31, 2019, Ye, Luxin; Huang, Binge; Lin, YiJing; Chen, Fan; Li, Jie; Huang, Peng; Sheen, Xiuwei published an article in Latin American Journal of Pharmacy. The article was 《Effect of codeine on urine metabolism in rats》. The article mentions the following:

Codeine, a commonly used cough drug, belongs to opioids, which is used more by drug abusers as an addictive substance. Except tablets, some other preparations of codeine are relatively easy to obtain, and at present in the youth codeine addicts have reached a large number due to cough drug abuse. In order to further comprehend the mechanism of codeine, the effects of codeine on the metabolic pathway of rats were studied by searching the relative relationship between metabolites (urine) and physiol. and pathol. changes. The metabolites were analyzed by gas chromatog.-mass spectrometer, the data were processed by principal component anal. (PCA) and PLS-DA by SIMCA-P 13.0 software, and statistical anal. by SPSS18.0 software. The results indicated that codeine induced metabolic disorder, and Metabolomics could provide a useful tool for the metabolic changes of rats. The results came from multiple reactions, including the reaction of rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1Recommanded Product: 54-17-1)

rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1) is the monohydrate form of the alpha isoform of D-glucopyranose, a synthetic simple monosaccharide that is used as an energy source.Recommanded Product: 54-17-1

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Alcohol – Wikipedia,
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Application In Synthesis of 4-Butylbenzene-1,2-diolOn November 15, 1990 ,《Stimulatory effect of 4-alkylcatechols and their diacetylated derivatives on the synthesis of nerve growth factor》 appeared in Biochemical Pharmacology. The author of the article were Furukawa, Yoshiko; Fukazawa, Nobuyuki; Miyama, Yukio; Hayashi, Kyozo; Furukawa, Shoei. The article conveys some information:

A series of 4-alkylcatechols and 1,2-diacetoxy-4-alkylbenzenes (Me to Bu) were synthesized for in vitro evaluation as stimulators of nerve growth factor (NGF) synthesis. All compounds were potent in stimulating NGF synthesis in L-M cells (a mouse fibroblast cell line) and mouse astroglial cells. In a series of 4-alkylcatechols, 4-methylcatechol and 4-ethylcatechol severely affected viability and cell adhesive properties. In a series of 1,2-diacetoxy-4-alkylbenzenes, the concentrations required for the maximal effect and the effective ranges of concentrations were higher than those in the 4-alkylcatechol series, and the cell adhesive properties or viabilities were not affected. Evidence is also presented to indicate that the elevation of NGF synthesis by these compounds was not associated with the cell growth. In addition to this study using 4-Butylbenzene-1,2-diol, there are many other studies that have used 4-Butylbenzene-1,2-diol(cas: 2525-05-5Application In Synthesis of 4-Butylbenzene-1,2-diol) was used in this study.

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. Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities. Application In Synthesis of 4-Butylbenzene-1,2-diol

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HPLC of Formula: 2240-88-2On October 14, 2021 ,《Screening Hit to Clinical Candidate: Discovery of BMS-963272, a Potent, Selective MGAT2 Inhibitor for the Treatment of Metabolic Disorders》 was published in Journal of Medicinal Chemistry. The article was written by Turdi, Huji; Chao, Hannguang; Hangeland, Jon J.; Ahmad, Saleem; Meng, Wei; Brigance, Robert; Zhao, Guohua; Wang, Wei; Moore, Fang; Ye, Xiang-Yang; Mathur, Arvind; Hou, Xiaoping; Kempson, James; Wu, Dauh-Rurng; Li, Yi-Xin; Azzara, Anthony V.; Ma, Zhengping; Chu, Ching-Hsuen; Chen, Luping; Cullen, Mary Jane; Rooney, Suzanne; Harvey, Susan; Kopcho, Lisa; Panemangelor, Reshma; Abell, Lynn; O′Malley, Kevin; Keim, William J.; Dierks, Elizabeth; Chang, Shu; Foster, Kimberly; Apedo, Atsu; Harden, David; Dabros, Marta; Gao, Qi; Pelleymounter, Mary Ann; Whaley, Jean M.; Robl, Jeffrey A.; Cheng, Dong; Lawrence, R. Michael; Devasthale, Pratik. The article contains the following contents:

MGAT2 inhibition is a potential therapeutic approach for the treatment of metabolic disorders. High-throughput screening of the BMS internal compound collection identified the aryl dihydropyridinone compound 1 (hMGAT2 IC50 = 175 nM) as a hit. Compound 1 had moderate potency against human MGAT2, was inactive vs mouse MGAT2 and had poor microsomal metabolic stability. A novel chem. route was developed to synthesize aryl dihydropyridinone analogs to explore structure-activity relationship around this hit, leading to the discovery of potent and selective MGAT2 inhibitors 21f, 21s, and 28e that are stable to liver microsomal metabolism After triaging out 21f due to its inferior in vivo potency, pharmacokinetics, and structure-based liabilities and tetrazole 28e due to its inferior channel liability profile, 21s (BMS-963272) was selected as the clin. candidate following demonstration of on-target weight loss efficacy in the diet-induced obese mouse model and an acceptable safety and tolerability profile in multiple preclin. species. After reading the article, we found that the author used 3,3,3-Trifluoropropan-1-ol(cas: 2240-88-2HPLC of Formula: 2240-88-2)

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.HPLC of Formula: 2240-88-2

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Computed Properties of C8H9ClO2On May 8, 1998 ,《Microbiological transformations. Part 39: Determination of the regioselectivity occurring during oxirane ring opening by epoxide hydrolases: a theoretical analysis and a new method for its determination》 appeared in Tetrahedron: Asymmetry. The author of the article were Moussou, Philippe; Archelas, Alain; Baratti, Jacques; Furstoss, Roland. The article conveys some information:

New equations as well as a new method were devised allowing for the total determination of the regioselectivity of biohydrolysis of a racemic epoxide by an epoxide hydrolase. This determination is achievable by simply studying the racemic epoxide as a substrate. Depending on the enantioselectivity (E value) and the regioselectivity involved, the absolute configuration as well as the enantiopurity of the residual epoxide and of the formed diol appear to be highly variable. For a specific enzyme/substrate couple, the yield and enantiopurity of the less reactive (remaining) epoxide – and thus the possibility to prepare it in enantiopure form – exclusively depend upon the enzyme enantioselectivity. On the other hand, the ee of the formed diol depends upon the enantioselectivity and regioselectivity of the oxirane ring opening. A theor. anal. based on the material balance, as well as several practical examples, are provided to illustrate the various possibilities of such biohydrolysis.(1S)-1-(2-chlorophenyl)ethane-1,2-diol(cas: 133082-13-0Computed Properties of C8H9ClO2) was used in this study.

(1S)-1-(2-chlorophenyl)ethane-1,2-diol(cas: 133082-13-0) belongs to hydroxy-containing compounds. Hydroxy groups participate in the dehydration reactions that link simple biological molecules into long chains.Computed Properties of C8H9ClO2 The joining of a fatty acid to glycerol to form a triacylglycerol removes the −OH from the carboxy end of the fatty acid.

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《Triazole-containing terpyridines with terminal aurophilic groups and their complexes with RhIII for adsorption on the surface of gold》 was written by Salimova, I. O.; Berezina, A. V.; Moiseeva, A. A.; Zyk, N. V.; Beloglazkina, E. K.. Formula: C7H6O3This research focused ontriazole terpyridine aurophilic group preparation rhodium complexation; adsorption surface gold sulfur containing triazole terpyridine rhodium complex. The article conveys some information:

Authors synthesized substituted phenylterpyridines containing one or two terminal disulfide groups and triazole-containing fragments in the linker between the terpyridine and sulfur-containing functional groups, as well as coordination compounds of the obtained terpyridines with RhIII. The possibility of the ligands and complexes under study to be chemisorbed on the surface of gold electrodes with the formation of an Au-S bond was shown. In the part of experimental materials, we found many familiar compounds, such as 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Formula: C7H6O3)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.Formula: C7H6O3

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Alcohol – Wikipedia,
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《Thermal- and photo-responsive liquid crystalline elastomers fabricated using tung oil-based azobenzene》 was written by Zhang, Haibo; Li, Wanbing; Liu, He; Shang, Shibin; Song, Zhanqian. Application of 627-18-9This research focused ontung oil azobenzene liquid crystalline elastomer thermal photo behavior. The article conveys some information:

Azobenzene-based liquid crystalline elastomers with dynamic ester bonds exhibit high thermal- and photo-responsive properties. However, there are a few studies that focus on photo-induced and thermal-induced behaviors sep. Herein, novel thermal- and photo-responsive LCEs containing dynamic ester bonds were prepared from 4,4-diglycidyloxy-azobenzene, sebacic acid and tung oil-based azobenzene, which acted as a side chain. The dynamic transesterification reactions on the network structure were confirmed through stress relaxation. The photo-induced and thermal-induced behaviors were also investigated. The monodomain LCEs film was obtained by uniaxial stretching at a temperature above the smectic-isotropic phase transition temperature (Ti ∼82°C). Due to the breakage and formation of dynamic ester bonds and the order-disorder smectic phase transition caused by heat and the trans-cis isomerization of azobenzene mesogens, the thermal-induced stress of the monodomain LCEs film reached ∼3 MPa. The LCEs film also exhibited thermal-induced shape-memory properties. Investigation of its photo-responsive behavior further demonstrated that the monodomain LCEs film generated stress of ∼1.1 MPa while exhibited photo-induced deformation due to the trans-cis isomerization of azobenzene mesogens upon irradiation with 365 nm UV light. Finally, we observed that the monodomain LCEs film could undergo quickly photo-induced deformation and could be processed into a photo-driven gripper. After reading the article, we found that the author used 3-Bromopropan-1-ol(cas: 627-18-9Application of 627-18-9)

3-Bromopropan-1-ol(cas: 627-18-9) is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols.Application of 627-18-9

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Zhao, Piaopiao; Peng, Yayuan; Xu, Xuan; Wang, Zhiyuan; Wu, Zengrui; Li, Weihua; Tang, Yun; Liu, Guixia published an article in 2021. The article was titled 《In silico prediction of mitochondrial toxicity of chemicals using machine learning methods》, and you may find the article in Journal of Applied Toxicology.HPLC of Formula: 100-83-4 The information in the text is summarized as follows:

Mitochondria are important organelles in human cells, providing more than 95% of the energy. However, some drugs and environmental chems. could induce mitochondrial dysfunction, which might cause complex diseases and even worsen the condition of patients with mitochondrial damage. Some drugs have been withdrawn from the market due to their severe mitochondrial toxicity, such as troglitazone. Therefore, there is an urgent need to develop models that could accurately predict the mitochondrial toxicity of chems. In this paper, suitable data were obtained from literature and databases first. Then nine types of fingerprints were used to characterize these compounds Finally, different algorithms were used to build models. Meanwhile, the applicability domain of the prediction models was defined. We have also explored the structural alerts of mitochondrial toxicity, which would be helpful for medicinal chemists to better predict mitochondrial toxicity and further optimize lead compounds The experimental part of the paper was very detailed, including the reaction process of 3-Hydroxybenzaldehyde(cas: 100-83-4HPLC of Formula: 100-83-4)

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.HPLC of Formula: 100-83-4

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Alcohol – Wikipedia,
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Yadav, Vinita; Balaraman, Ekambaram; Mhaske, Santosh B. published an article in 2021. The article was titled 《Phosphine-Free Manganese(II)-Catalyst Enables Acceptorless Dehydrogenative Coupling of Alcohols with Indoles》, and you may find the article in Advanced Synthesis & Catalysis.Related Products of 100-55-0 The information in the text is summarized as follows:

Herein, an air-stable, molecularly defined NNN-Mn(II) pincer complex catalyzed acceptorless dehydrogenative coupling of alcs. with indoles is reported [e.g., 4-isopropylbenzyl alc. + indole → I (96%)]. A wide variety of sym. and unsym. bis(indolyl)methane derivatives as well as some structurally important products such as vibrindole A, turbomycin B alkaloid, antileukemic, and anticancer agents were synthesized. Mechanistic studies illustrate the importance of the NH moiety in the complex and the crucial role of metal-ligand cooperation during catalysis.3-Pyridinemethanol(cas: 100-55-0Related Products of 100-55-0) was used in this study.

3-Pyridinemethanol(cas: 100-55-0) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Related Products of 100-55-0

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Alcohol – Wikipedia,
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Chen, Ching-Yu; Xu, Han-Chen; Ho, Tsung-Hsien; Hsu, Chun-Ju; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien published their research in Journal of Organic Chemistry in 2021. The article was titled 《Complementarity of 2,6-Dimethanolpyridine and Di(ethylene glycol) in the Complexation of Na+ Ions: Attaching Multiple Copies of [2]Catenane Branches to Isophthalaldehyde-Containing Cores》.Category: alcohols-buliding-blocks The article contains the following contents:

In this study we found that 2,6-dimethanolpyridine displays good complementarity toward di(ethylene glycol) for the complexation of Na+ ions, allowing us to use this recognition system for the efficient synthesis of hetero[2]catenanes; indeed, it allowed us to attach multiple copies of [2]catenanes to branched systems presenting multiple isophthalaldehyde units. When we attempted to form a catenane from a preformed macrocycle featuring only a single di(ethylene glycol) unit, reacting it with a di(ethylene glycol) derivative presenting two amino termini, isophthalaldehyde, and templating Na+ ions [i.e., with the aim of using di(ethylene glycol)·Na+·di(ethylene glycol) recognition to template the formation of the interlocked imino macrocycle], the yields of the hetero[2]catenane and homo[2]catenane, comprising two imino macrocyclic units, were both poor (14% and 7%, resp.). In contrast, when one or two 2,6-dimethanolpyridine units were present in the preformed macrocycles, their reactions with the same diamine, dialdehyde, and Na+ ions provided the hetero[2]catenanes with high selectivity and efficiency (44% and 64% yields, resp.), with minimal formation of the competing homo[2]catenane. The high complementary of the 2,6-dimethanolpyridine·Na+·di(ethylene glycol) ligand pair allowed us to synthesize [2]catenane dimers and trimers directly from corresponding isophthalaldehyde-presenting cores, with yields, after subsequent reduction and methylation, of 42% and 31%, resp. The experimental process involved the reaction of 2,6-Pyridinedimethanol(cas: 1195-59-1Category: alcohols-buliding-blocks)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Category: alcohols-buliding-blocks

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Qin, Mingze; Meng, Yangyang; Yang, Haoshen; Liu, Lei; Zhang, Haotian; Wang, Simeng; Liu, Chunyang; Wu, Xia; Wu, Di; Tian, Ye; Hou, Yunlei; Zhao, Yanfang; Liu, Yajing; Xu, Congjun; Wang, Lihui published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Discovery of 4-Arylindolines Containing a Thiazole Moiety as Potential Antitumor Agents Inhibiting the Programmed Cell Death-1/Programmed Cell Death-Ligand 1 Interaction》.Category: alcohols-buliding-blocks The article contains the following contents:

Through specific structural modification of a 4-phenylindoline precursor, new 4-arylindolines containing a thiazole moiety were developed and found to be promising modulators of the programmed cell death-1 (PD-1)/programmed cell death-ligand 1 (PD-L1) axis. Compound A30(I) exhibited outstanding biochem. activity, with an IC50 of 11.2 nM in a homogeneous time-resolved fluorescence assay. In the cell-based assay, A30 significantly promoted IFN-γ secretion and rescued T-cell proliferation, which were inhibited by PD-1 activation. Furthermore, A30 showed favorable in vivo antitumor activity in a mouse 4T1 breast carcinoma model. Moreover, in mouse CT26 colon carcinoma models, A30 potently suppressed the growth of CT26/PD-L1 tumor but did not obviously affect the growth of CT26/vector tumor. The results of flow cytometry anal. indicated that A30 inhibited tumor growth by activating the immune microenvironment. We concluded that A30 is a new starting point for further development of PD-1/PD-L1 interaction inhibitors as antitumor agents. The experimental part of the paper was very detailed, including the reaction process of trans-4-Aminocyclohexanol(cas: 27489-62-9Category: alcohols-buliding-blocks)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.Category: alcohols-buliding-blocks

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