Category: 110-03-2

Goeminne, Pieter C.;Vandendriessche, Thomas;Van Eldere, Johan;Nicolai, Bart M.;Hertog, Maarten L. A. T. M.;Dupont, Lieven J. published 《Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis》 in 2012. The article was appeared in 《Respiratory Research》. They have made some progress in their research.SDS of cas: 110-03-2 The article mentions the following:

Introduction: Chronic pulmonary infection is the hallmark of Cystic Fibrosis lung disease. Searching for faster and easier screening may lead to faster diagnosis and treatment of Pseudomonas aeruginosa (P. aeruginosa). Our aim was to analyze and build a model to predict the presence of P. aeruginosa in sputa. Methods: Sputa from 28 bronchiectatic patients were used for bacterial culturing and anal. of volatile compounds by gas chromatog.-mass spectrometry. Data anal. and model building were done by Partial Least Squares Regression Discriminant anal. (PLS-DA). Two anal. were performed: one comparing P. aeruginosa pos. with neg. cultures at study visit (PA model) and one comparing chronic colonization according to the Leeds criteria with P. aeruginosa neg. patients (PACC model). Results: The PA model prediction of P. aeruginosa presence was rather poor, with a high number of false positives and false negatives. On the other hand, the PACC model was stable and explained chronic P. aeruginosa presence for 95% with 4 PLS-DA factors, with a sensitivity of 100%, a pos. predictive value of 86% and a neg. predictive value of 100%. Conclusion: Our study shows the potential for building a prediction model for the presence of chronic P. aeruginosa based on volatiles from sputum. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.SDS of cas: 110-03-2

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SDS of cas: 110-03-2《Inhouse Fabrication of a Reconstructed Human Corneal Epithelium Model for Use in Testing for Eye Irritation Potential》 was published in 2020. The authors were Kato, Yoshinao;Yamamoto, Naoki;Hiramatsu, Noriko;Sato, Atushi;Kojima, Hajime, and the article was included in《Applied In Vitro Toxicology》. The author mentioned the following in the article:

Introduction: In the last decade, a variety of in vitro eye irritation test (EIT) methods have been developed and validated as an alternative to animal testing to assess the ocular toxicity of chems. Among these in vitro test methods, that using reconstructed human corneal epithelium (RhCE) is considered to be most useful, but RhCE is expensive and cannot be purchased at any time in Japan. Thus, we undertook this study to establish a method for in house fabrication of RhCE using the immortalized human corneal epithelial cell lines. Materials and Methods: An RhCE fabricated from the immortalized human corneal epithelial cell line (iHCE-NY1) was evaluated in accordance with the performance standards of Test Guideline 492 issued by the Organization for Economic Cooperation and Development (OECD). Results: Histol. anal. of the iHCE-NY1 model showed a complete corneal epithelium containing three corneal epithelial layers and the corneal epithelial marker, Mucin-16, was expressed in the appropriate regions. Prediction of eye irritation potential of the 30 reference chems. based on performance standards using the iHCE-NY1 model correlated well with in vivo test results for eye irritation potential, with a sensitivity of 100%, a specificity of 60.0%, and an accuracy of 80.0%. Discussion and Conclusion: This development successfully established a simple and inexpensive method for in house fabrication of RhCE at laboratories, thereby providing a promising alternative to animal testing for assessing eye irritation potential using the iHCE-NY1 model. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.SDS of cas: 110-03-2

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Ko, Kyung Yuk;Jeon, Hye Lyun;Kim, Joohwan;Kim, Tae Sung;Hong, Yoon-hee;Jeong, Mi Kyung;Park, Kyo-Hyun;Kim, Bae-Hwan;Park, Sera;Jang, Won-hee;Cho, Sun-A.;An, Susun;Cho, Ah Rang;Yi, Jung-Sun;Kim, Ji-Young;Kim, Hak;Lee, Jong Kwon;Park, Ki Sook published 《Two tiered approaches combining alternative test methods and minimizing the use of reconstructed human cornea-like epithelium tests for the evaluation of eye irritation potency of test chemicals》. The research results were published in《Toxicology In Vitro》 in 2020.Recommanded Product: 110-03-2 The article conveys some information:

In order to overcome the limitations of single in vitro eye irritation tests, Integrated Approaches to Testing Assessment strategies have been suggested for evaluating eye irritation. This study developed two tiered approaches combining alternative test methods. They were designed in consideration of the solubility property of test chems. and to use the RhCE tests at final steps. The tiered approach A is composed of the STE, BCOP, HET-CAM or RhCE tests, whereas the tiered approach B is designed to perform simultaneously two in vitro test methods at the first stage and the RhCE test at the final stage. The predictive capacity of the two tiered approaches was estimated using 47 chems. The accuracy, sensitivity, and specificity value of the tiered approach A were 95.7% (45/47), 100% (34/34), and 84.6% (11/13), resp., whereas those of the tiered approach B were 95.7% (45/47), 97.1% (33/34), and 92.3% (12/13), resp. The approach A and B were considered to be available methods for distinguishing test chems. of Category 1 (all 73.3%) and No Category (84.6% and 92.3%), resp. Especially, the approach B was considered as an efficient method as the Bottom-Up approach, because it predicted correctly test chems. classified as No Category. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Recommanded Product: 110-03-2

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Houston, Sevan D.;Fahrenhorst-Jones, Tyler;Xing, Hui;Chalmers, Benjamin A.;Sykes, Melissa L.;Stok, Jeanette E.;Farfan Soto, Clementina;Burns, Jed M.;Bernhardt, Paul V.;De Voss, James J.;Boyle, Glen M.;Smith, Maree T.;Tsanaktsidis, John;Savage, G. Paul;Avery, Vicky M.;Williams, Craig M. published 《The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement》. The research results were published in《Organic & Biomolecular Chemistry》 in 2019.Application of 110-03-2 The article conveys some information:

The cubane Ph ring bioisostere paradigm was further explored in an extensive study covering a wide range of pharmaceutical and agrochem. templates, which included antibiotics (cefaclor, penicillin G) and antihistamine (diphenhydramine), a smooth muscle relaxant (alverine), an anesthetic (ketamine), an agrochem. insecticide (triflumuron), an antiparasitic (benznidazole) and an anticancer agent (tamibarotene). This investigation highlights the scope and limitations of incorporating cubane into bioactive mol. discovery, both in terms of synthetic compatibility and phys. property matching. Cubane maintained bioisosterism in the case of the Chagas disease antiparasitic benznidazole, although it was less active in the case of the anticancer agent (tamibarotenne). Application of the cyclooctatetraene (COT) (bio)motif complement was found to optimize benznidazole relative to the benzene parent, and augmented anticancer activity relative to the cubane analog in the case of tamibarotene. Like all bioisosteres, scaffolds and biomotifs, however, there are limitations (e.g. synthetic implementation), and these have been specifically highlighted herein using failed examples. A summary of all templates prepared to date by our group that were biol. evaluated strongly supports the concept that cubane is a valuable tool in bioactive mol. discovery and COT is a viable complement. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Application of 110-03-2

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Category: alcohols-buliding-blocks《Cytotoxicity assay to assess eye irritation – A comparison with other methods and possible strategies for use》 was published in 2022. The authors were Krakowian, Daniel;Gadarowska, Dominika;Daniel-Wojcik, Anna;Mrzyk, Inga, and the article was included in《Toxicology In Vitro》. The author mentioned the following in the article:

Many in vitro methods can be used to classify eye irritation or damage caused by exposure to a substance. In this study, a recently described method called the Cytotoxicity Assay to Assess Eye Irritation (CEI) was compared with other selected in vitro methods adopted in the OECD guidelines. Furthermore, the influence of combining more than one in vitro method was investigated. Basic performance indexes were considered and a risk assessment based on the number of correct and incorrect results (overestimated or underestimated) was performed. The CEI results were similar to those of other in vitro tests, however, the CEI can also directly classify substances irritating to the eyes. When the CEI preceded an eye irritation test based reconstructed human corneal-like epithelium, there were fewer underestimates compared with other method combinations. This combination can better protect human health and provides results comparable to those obtained in animal tests.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.Category: alcohols-buliding-blocks

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SDS of cas: 110-03-2《Vitrigel-Eye Irritancy Test Method Using HCE-T Cells》 was published in 2013. The authors were Yamaguchi, Hiroyuki;Kojima, Hajime;Takezawa, Toshiaki, and the article was included in《Toxicological Sciences》. The author mentioned the following in the article:

The authors previously reported that the time-dependent relative changes of transepithelial elec. resistance (TEER) after exposing four different chems. to a human corneal epithelium (HCE) model were well correlated to the potential of ocular irritancy. Meanwhile, the authors recently developed a collagen vitrigel membrane (CVM) chamber possessing a scaffold composed of high-d. collagen fibrils equivalent to connective tissues in vivo as a three-dimensional culture tool. The CVM chamber is useful for biomedical assays and immunohistol. using cryosections that are inappropriate to be performed using the conventional Millicell chamber with a polyethylene terephthalate membrane. In this study, the authors aimed to develop a new eye irritancy test (EIT) method called “Vitrigel-EIT method” that can facilitate to briefly and accurately estimate the widespread irritancy of test chems. by applying the TEER assay system to a HCE model fabricated in the CVM chamber. HCE-T cells (a HCE-derived cell strain) were cultured in the CVM chamber for 6 days, and consequently, the Vitrigel-HCE model possessing the following characteristics of HCE in vivo was formed: six cell layers with specific protein expressions and their barrier function. Time-dependent profiles of TEER values after exposing 30 test chems. to the HCE model were converted into the scores of three indexes (time lag, intensity, and plateau level), and each chem. was successfully classified into irritant or nonirritant category by utilizing the criteria for the indexes, resulting in the excellent correlation with Globally Harmonized System of Classification and Labeling of Chems. (GHS) classification (sensitivity: 100%, specificity: 75%, accuracy: 90%). These data suggest that the widespread eye irritancy of chems. can be predicted without false negatives by the Vitrigel-EIT method. Interestingly, the disruption of tight junctions was immunohistol. observed after exposing not only irritants but also three compounds classified as nonirritant by GHS but found pos. in the authors’ Vitrigel-EIT method confirming a possible mild irritant property. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.SDS of cas: 110-03-2

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Ling, Xiaoxi;Masson, Eric published 《Cucurbituril Slippage: Cations as Supramolecular Lubricants》 in 2012. The article was appeared in 《Organic Letters》. They have made some progress in their research.COA of Formula: C8H18O2 The article mentions the following:

The dethreading rate of a polyaminated axle flanked by two benzo-15-crown-5 stoppers from the cavity of Cucurbit[7]uril (CB[7]) was enhanced by up to 500 times in the presence of aqueous metallic and organic cations. Cations likely stabilize the highest energy transition state of the dethreading process by interacting with both crown ether and CB[7] units.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.COA of Formula: C8H18O2

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Wang, Hui;Shao, Hong-xia;Qin, Qiu-ming published 《Determination of 2,5-dimethyl-2,5-hexanediol in process components of voriconazole products for injection by UPLC-MS/MS》. The research results were published in《Zhejiang Huagong》 in 2021.Application In Synthesis of 2,5-Dimethyl-2,5-hexanediol The article conveys some information:

Objective: To establish an ultra high performance liquid phase-tandem mass spectrometry (UPLC-MS/MS) method for the determination of 2,5-dimethyl-2,5-hexanediol (DHD) in process components of voriconazole for injection. Methods: The sample was redissolved by water and added with internal standard 2-methylpentane-2,4-diol (MPD), extracted with acetonitrile and injected. The liquid mass spectrometer was used for anal. The mobile phase A was methanol, and mobile phase B was 0.1% ammonia solution Column ACQUITY UPLC BEH Ph (2.1 mm×50 mm, 1.7 μm) was used for separation Electrospray ionization source and multiple reaction monitoring (MRM) mode were used for neg. ion scanning detection. Results: DHD showed a good linearity within between 10.0-68.0 μg·L^-1 (r = 0.9990). The relative average deviation (RSD) of repeatability test was 1%, and the method recovery rate was 84-107%. The lower limit of detection (S/N ≈ 3) was 3.3 ppb, and the lower limit of quantification (S/N ≈ 10) was 10.0 ppb. The sample solution was stable in 24 h at room temperature Conclusion: UPLC-MS/MS method has many advantages, such as high sensitivity, accurate determination results, strong specificity and so on. UPLC-MS/MS method can be applied to the risk monitoring of DHD in process components of voriconazole for injection, and can provide a reference for the detection of DHD in other products. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Application In Synthesis of 2,5-Dimethyl-2,5-hexanediol

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Category: alcohols-buliding-blocksIn 2013, Wei, Wei;Ma, Shuai;Han, Zeng-ying;Cao, Sheng-hua;Ding, Xiao-dong published 《Synthesis and optimization of bexarotene》. 《Huaxue Yanjiu Yu Yingyong》published the findings. The article contains the following contents:

The anti-cancer drug bexarotene was synthesized through seven main reactions such as chlorination, Friedel-Crafts alkylation, Friedel-Crafts acylation, Wittig reaction, hydrolysis reaction etc. This route was optimized greatly which featured with low cost and easy operation procedure. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Category: alcohols-buliding-blocks

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Safety of 2,5-Dimethyl-2,5-hexanediolIn 2014, Xu, Zhihan;Pan, Shen;Huang, Yan-gen published 《Synthesis and biological evaluation of new retinoid derivatives》. 《Youji Huaxue》published the findings. The article contains the following contents:

The key intermediate boronic acid 2 was synthesized via sequential reactions of Friedel-Crafts alkylation, bromination and nucleophilic reaction by using anisole as starting material. Hydroxyacetone was converted to bromide compound 3 by the Wittig reaction, bromination, Arbuzov reaction and Homer-Wadsworth-Emmons (HWE) reaction. Three novel retinoid derivatives 1a-1c can be obtained via the Suzuki coupling reaction of the boronic acid 2 with bromide compound 3, Me 4-bromo-2-fluorobenzoate (4) or Me 6-bromonicotinate (5) and followed by hydrolysis of the corresponding esters. In addition, trifluoromethyl substituted retinoid derivative 1d was synthesized via sequential reactions of Friedel-Crafts alkylation nitration, trifluoromethylation, reduction and nucleophilic reaction with bromobenzene as starting material. The structures of four new retinoid derivatives 1a-1d were confirmed by ¹H NMR, ¹³C NMR, IR and HRMS analyses. Furthermore, the inducing differentiation abilities of mols. 1a-1d for HL-60 cells were tested, and the results revealed that these four retinoid derivatives are biol. active. The IC₅₀ values of fluorinated derivatives 1b and 1d are lower than that of com. medicine all trans retinoid acid (ATRA).2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Safety of 2,5-Dimethyl-2,5-hexanediol

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