Month: November 2022

On August 31, 2011, Chai, Hui-fang; Liang, Xin-xia; Li, Lin; Zhao, Chun-shen; Gong, Ping; Liang, Zhong-jie; Zhu, Wei-liang; Jiang, Hua-liang; Luo, Cheng published an article.HPLC of Formula: 72364-46-6 The title of the article was Identification of novel 5-hydroxy-1H-indole-3-carboxylates with anti-HBV activities based on 3D QSAR studies. And the article contained the following:

Infection with hepatitis B virus (HBV) is a major cause of liver diseases such as cirrhosis and hepatocellular carcinoma. In our previous studies, we identified indole derivatives that have anti-HBV activities. In this study, we optimize a series of 5-hydroxy-1H-indole-3-carboxylates, which exhibited potent anti-HBV activities, using three-dimensional quant. structure-activity relationship (3D QSAR) studies with comparative mol. field anal. (CoMFA) and comparative mol. similarity indexes anal. (CoMSIA). The lowest energy conformation of compound 3, which exhibited the most potent anti-HBV activity, obtained from systematic search was used as the template for alignment. The best predictions were obtained with the CoMFA standard model (q 2 = 0.689, r 2 = 0.965, SEE = 0.082, F = 148.751) and with CoMSIA combined steric, electrostatic, hydrophobic and H-bond acceptor fields (q 2 = 0.578, r 2 = 0.973, SEE = 0.078, F = 100.342). Both models were validated by an external test set of six compounds giving satisfactory prediction. Based on the clues derived from CoMFA and CoMSIA models and their contour maps, another three compounds were designed and synthesized. Pharmacol. assay demonstrated that the newly synthesized compounds possessed more potent anti-HBV activities than before (IC50: compound 35a is 3.1 μmol/l, compound 3 is 4.1 μmol/l). Combining the clues derived from the 3D QSAR studies and from further validation of the 3D QSAR models, the activities of the newly synthesized indole derivatives were well accounted for. Furthermore, this showed that the CoMFA and CoMSIA models proved to have good predictive ability. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).HPLC of Formula: 72364-46-6

The Article related to hydroxy indole carboxylate hepatitis b virus antiviral qsar hepatoblastoma, Pharmacology: Structure-Activity and other aspects.HPLC of Formula: 72364-46-6

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On May 28, 2015, Duan, Wenwen; Li, Jin; Inks, Elizabeth S.; Chou, C. James; Jia, Yuping; Chu, Xiaojing; Li, Xiaoyang; Xu, Wenfang; Zhang, Yingjie published an article.Computed Properties of 78-26-2 The title of the article was Design, Synthesis, and Antitumor Evaluation of Novel Histone Deacetylase Inhibitors Equipped with a Phenylsulfonylfuroxan Module as a Nitric Oxide Donor. And the article contained the following:

On the basis of the strategy of creating multifunctional drugs, a novel series of phenylsulfonylfuroxan-based hydroxamates with histone deacetylase (HDAC) inhibitory and nitric oxide (NO) donating activities were designed, synthesized, and evaluated. The most potent NO donor-HDAC inhibitor (HDACI) hybrid, 5c, exhibited a much greater in vitro antiproliferative activity against the human erythroleukemia (HEL) cell line than that of the approved drug SAHA (Vorinostat), and its antiproliferative activity was diminished by the NO scavenger Hb in a dose-dependent manner. Further mechanism studies revealed that 5c strongly induced cellular apoptosis and G1 phase arrest in HEL cells. Animal experiment identified 5c as an orally active agent with potent antitumor activity in a HEL cell xenograft model. Interestingly, although compound 5c was remarkably HDAC6-selective at the mol. level, it exhibited pan-HDAC inhibition in a western blot assay, which is likely due to class I HDACs inhibition caused by NO release at the cellular level. The experimental process involved the reaction of 2-Methyl-2-propylpropane-1,3-diol(cas: 78-26-2).Computed Properties of 78-26-2

The Article related to phenylsulfonyl furoxan hydroxamate preparation histone deacetylase no cancer, Pharmacology: Structure-Activity and other aspects.Computed Properties of 78-26-2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On January 1, 2010, Wang, Haofan; Byun, Youngjoo; Barinka, Cyril; Pullambhatla, Mrudula; Bhang, Hyo-eun C.; Fox, James J.; Lubkowski, Jacek; Mease, Ronnie C.; Pomper, Martin G. published an article.Synthetic Route of 32462-30-9 The title of the article was Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies. And the article contained the following:

We report a strategy based on bioisosterism to improve the physicochem. properties of existing hydrophilic, urea-based GCPII inhibitors. Comprehensive structure-activity relation studies of the P1′ site of ZJ-43- and DCIBzL-based compounds identified several glutamate-free inhibitors with Ki values below 20 nM. Among them, compound 32d (Ki = 11 nM) exhibited selective uptake in GCPII-expressing tumors by SPECT-CT imaging in mice. A novel conformational change of amino acids in the S1′ pharmacophore pocket was observed in the x-ray crystal structure of GCPII complexed with 32d. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Synthetic Route of 32462-30-9

The Article related to gcpii inhibitor urea derivative bioisosterism preparation structure activity, Pharmacology: Structure-Activity and other aspects.Synthetic Route of 32462-30-9

Referemce:
Alcohol – Wikipedia,
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On February 29, 2012, Koide, Haruki; Narasaki, Ritsuko; Hasegawa, Keiko; Nishimura, Naoko; Hasumi, Keiji published an article.Related Products of 32462-30-9 The title of the article was A new series of the SMTP plasminogen modulator with a phenylglycine-based side chain. And the article contained the following:

Our previous studies established fermentation conditions that enable efficient production of an SMTP (Stachybotrys microspora tripenyl phenols) congener through feeding of a precursor amine to S. microspora. In this study, we isolated five new SMTP congeners with a phenylglycine-based side chain to investigate structure-activity relationships further. This paper deals with the isolation and characterization of these congeners. A culture fed with an optically active precursor afforded single major product (SMTP-43, -43D, -44, or -44D), whereas a culture fed with racemic 3-hydroxy-D,L-phenylglycine gave two major products, which were separable each other on reversed-phase HPLC. SMTP-43, which had an L-2-phenylglycine moiety as the N-linked side chain, was potent in enhancing plasminogen activation. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Related Products of 32462-30-9

The Article related to stachybotrys microspora tripenyl phenol fermentation plasminogen modulator sar, Pharmacology: Structure-Activity and other aspects.Related Products of 32462-30-9

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On June 15, 2007, Juhasz, Laszlo; Docsa, Tibor; Brunyaszki, Attila; Gergely, Pal; Antus, Sandor published an article.Electric Literature of 280752-78-5 The title of the article was Synthesis and glycogen phosphorylase inhibitor activity of 2,3-dihydrobenzo[1,4]dioxin derivatives. And the article contained the following:

Novel 5-benzyl and 5-benzylidene-thiazolidine-2,4-diones carrying 2,3-dihydrobenzo[1,4]dioxin pharmacophore were synthesized and their glycogen phosphorylase inhibitor activity was also studied. Compound I possesses a high glycogen phosphorylase inhibitory activity with a Ki = 10-12 μM. The experimental process involved the reaction of (6-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanol(cas: 280752-78-5).Electric Literature of 280752-78-5

The Article related to glycogen phosphorylase inhibitor antidiabetic dihydrobenzodioxin thiazolidinedione preparation sar, Pharmacology: Structure-Activity and other aspects.Electric Literature of 280752-78-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On August 31, 1992, Bazylak, Grzegorz published an article.Category: alcohols-buliding-blocks The title of the article was Retention behavior and molecular structure parameters of diethanolamine isomers in some reversed phase HPTLC systems. And the article contained the following:

The chromatog. behavior of twelve compounds structurally related to diethanolamine on four types of reversed phase, chem. bonded, hydrocarbonaceous silica gel has been studied with methanol – water as mobile phase. Linear, quadratic, and multi parametric correlations between the exptl. determined chromatog. parameter log k’, and the calculated mol. structure descriptors of the amino alcs. were examined Elution sequences on the octyl- and octadecyl-silane bonded phases were predicted most reliably by means of equations incorporating the valence mol. connectivity (χRv), Balaban and Weiner indexes. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Category: alcohols-buliding-blocks

The Article related to diethanolamine isomer retention structure hptlc, chromatog thin layer diethanolamine isomer structure, Pharmacology: Structure-Activity and other aspects.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On July 17, 2018, Di, Anke; Xiong, Shiqin; Ye, Zhiming; Malireddi, R. K. Subbarao; Kometani, Satoshi; Zhong, Ming; Mittal, Manish; Hong, Zhigang; Kanneganti, Thirumala-Devi; Rehman, Jalees; Malik, Asrar B. published an article.Synthetic Route of 4719-04-4 The title of the article was The TWIK2 potassium efflux channel in macrophages mediates NLRP3 inflammasome-induced inflammation. And the article contained the following:

Potassium (K+) efflux across the plasma membrane is thought to be an essential mechanism for ATP-induced NLRP3 inflammasome activation, yet the identity of the efflux channel has remained elusive. Here we identified the two-pore domain K+ channel (K2P) TWIK2 as the K+ efflux channel triggering NLRP3 inflammasome activation. Deletion of Kcnk6 (encoding TWIK2) prevented NLRP3 activation in macrophages and suppressed sepsis-induced lung inflammation. Adoptive transfer of Kcnk6-/- macrophages into mouse airways after macrophage depletion also prevented inflammatory lung injury. The K+ efflux channel TWIK2 in macrophages has a fundamental role in activating the NLRP3 inflammasome and consequently mediates inflammation, pointing to TWIK2 as a potential target for anti-inflammatory therapies. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Synthetic Route of 4719-04-4

The Article related to twik2 nlrp3 macrophage adoptive cell transfer lung inflammation, kcnk6, nlrp3 inflammasome, p2x7 receptor, twik2, inflammation, potassium channel, Immunochemistry: Immunopathology and other aspects.Synthetic Route of 4719-04-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On January 1, 2018, Akama, Tsutomu; Zhang, Yong-Kang; Freund, Yvonne R.; Berry, Pamela; Lee, Joanne; Easom, Eric E.; Jacobs, Robert T.; Plattner, Jacob J.; Witty, Michael J.; Peter, Rosemary; Rowan, Tim G.; Gillingwater, Kirsten; Brun, Reto; Nare, Bakela; Mercer, Luke; Xu, Musheng; Wang, Jiangong; Liang, Hao published an article.Product Details of 386704-04-7 The title of the article was Identification of a 4-fluorobenzyl L-valinate amide benzoxaborole (AN11736) as a potential development candidate for the treatment of Animal African Trypanosomiasis (AAT). And the article contained the following:

Novel L-valinate amide benzoxaboroles and analogs were designed and synthesized for a structure-activity-relationship (SAR) investigation to optimize the growth inhibitory activity against Trypanosoma congolense (T. congolense) and Trypanosoma vivax (T. vivax) parasites. The study identified 4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate (5, AN11736), which showed IC50 values of 0.15 nM against T. congolense and 1.3 nM against T. vivax, and demonstrated 100% efficacy with a single dose of 10 mg/kg against both T. congolense and T. vivax in mouse models of infection (IP dosing) and in the target animal, cattle, dosed i.m. AN11736 has been advanced to early development studies. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Product Details of 386704-04-7

The Article related to valinate amide benzoxaborole analog preparation trypanosoma congolense vivax, benzoxaborole, cattle, lead optimisation, protozoan, sar, trypanosomiasis, Pharmacology: Structure-Activity and other aspects.Product Details of 386704-04-7

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Vorberg, Susann; Tetko, Igor V. published an article in 2014, the title of the article was Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM).Formula: C9H21N3O3 And the article contains the following content:

Biodegradability describes the capacity of substances to be mineralized by free-living bacteria. It is a crucial property in estimating a compound’s long-term impact on the environment. The ability to reliably predict biodegradability would reduce the need for laborious exptl. testing. However, this endpoint is difficult to model due to unavailability or inconsistency of exptl. data. Our approach makes use of the Online Chem. Modeling Environment (OCHEM) and its rich supply of machine learning methods and descriptor sets to build classification models for ready biodegradability. These models were analyzed to determine the relationship between characteristic structural properties and biodegradation activity. The distinguishing feature of the developed models is their ability to estimate the accuracy of prediction for each individual compound The models developed using seven individual descriptor sets were combined in a consensus model, which provided the highest accuracy. The identified overrepresented structural fragments can be used by chemists to improve the biodegradability of new chem. compounds The consensus model, the datasets used, and the calculated structural fragments are publicly available at http://ochem.eu/article/31660. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Formula: C9H21N3O3

The Article related to computational modeling biodegradability carboxylic acid ester primary alc, outlier detection, ready biodegradability, structural and functional interpretation, Pharmacology: Structure-Activity and other aspects.Formula: C9H21N3O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

On May 31, 2021, DeJong, Amy E.; Hartel, Richard W. published an article.Related Products of 585-88-6 The title of the article was Modulating sorbitol crystallization using impurities. And the article contained the following:

Sorbitol crystallization in complex systems, such as those seen in sugar-free confectionery products, is not well understood. By leveraging torque rheol., crystallization onset time was measured using the inflection point at which torque increased during mixing as a result of crystallization Select impurities (mannitol, maltitol, and glycerol) were used 5, 10, and 20% to determine their impact on sorbitol crystallization behavior from 10% moisture sorbitol syrups. Binary and ternary blends of the same impurities were also evaluated at a total impurity addition level of 20% to investigate any synergies. Overall, mannitol had the most pronounced inhibition of sorbitol crystallization onset time, with onset time being directly proportional to the amount of mannitol added. Interestingly, despite inhibited onset time, mannitol did not impact the final torque measurement and the impact on m.p. was minimal; this differed from the other ingredients studied as well as ingredient blends. The experimental process involved the reaction of SweetPearlR P300 DC Maltitol(cas: 585-88-6).Related Products of 585-88-6

The Article related to sorbitol crystallization impurities, Food and Feed Chemistry: Analysis and other aspects.Related Products of 585-88-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts