Category: 903-19-5

Ishii, Fumio published the artcileOxidation of hydroquinone and catechols with aqueous sodium hypochlorite under phase-transfer catalysis, Recommanded Product: 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, the publication is Synthesis (1980), 706-8, database is CAplus.

Hydroquinones I (R = H, Me, Me₃C, tert-octyl, Ph, 4-MeC₆H₄, EtCMe₂; R¹, R³ = H, Me; R² = H, Me₃C, EtCMe₂, tert-octyl; RR¹ = CH:CHCH:CH) and II (R⁴ = H, Me₃C) were treated with 10% NaOCl in the presence of Bu₄N⁺.HSO₄^– to give 14-91% III and 91-92% IV, resp.

Synthesis published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C22H38O2, Recommanded Product: 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Cheng, Feixiong published the artcileIn Silico Assessment of Chemical Biodegradability, COA of Formula: C22H38O2, the publication is Journal of Chemical Information and Modeling (2012), 52(3), 655-669, database is CAplus and MEDLINE.

Biodegradation is the principal environmental dissipation process. Due to a lack of comprehensive exptl. data, high study cost and time-consuming, in silico approaches for assessing the biodegradable profiles of chems. are encouraged and is an active current research topic. We developed in-silico methods to estimate chem. biodegradability in the environment. At SST, 1440 diverse compounds tested under the Japanese Ministry of International Trade and Industry (MI-TI) protocol were used. Four different methods (support vector machine, k-nearest neighbor, naive B-ayes, and CU.5 decision tree) were used to build the combinatorial classification probability models of ready vs. not ready biodegradability using physicochem. descriptors and fingerprints sep. The overall predictive accuracies of the best models were >80% for the external test set of 164 diverse compounds Some privileged substructures were further identified for ready or not ready biodegradable chems. by combining information gain and substructure fragment anal. Here, 27 new predicted chems. were selected for exptl. assay through the Japanese MI-TI test protocols, which validated that all 27 compounds were predicted correctly. The predictive accuracies of our models outperform the commonly used software of the E-PI Suite. Our study provided critical tools for early assessment of biodegradability of new organic chems. in environmental hazard assessment.

Journal of Chemical Information and Modeling published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C22H38O2, COA of Formula: C22H38O2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Paula, Stefan published the artcileNovel phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase: identification and characterization by quantitative structure-activity relationship modeling and virtual screening, Synthetic Route of 903-19-5, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2015), 30(1), 1-8, database is CAplus and MEDLINE.

Inhibitors of the sarco/endoplasmic reticulum calcium ATPase (SERCA) are valuable research tools and hold promise as a new generation of anti-prostate cancer agents. Based on previously determined potencies of phenolic SERCA inhibitors, we created quant. structure-activity relationship (QSAR) models using three independent development strategies. The obtained QSAR models facilitated virtual screens of several com. compound collections for novel inhibitors. Sixteen compounds were subsequently evaluated in SERCA activity inhibition assays and 11 showed detectable potencies in the micro- to millimolar range. The exptl. results were then incorporated into a comprehensive master QSAR model, whose phys. interpretation by partial least squares anal. revealed that properly positioned substituents at the central Ph ring capable of forming hydrogen bonds and of undergoing hydrophobic interactions were prerequisites for effective SERCA inhibition. The established SAR was in good agreement with findings from previous structural studies, even though it was obtained independently using standard QSAR methodologies.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C22H38O2, Synthetic Route of 903-19-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lape, Michael published the artcileMolecular determinants of sarco/endoplasmic reticulum calcium ATPase inhibition by hydroquinone-based compounds, Computed Properties of 903-19-5, the publication is Proteins: Structure, Function, and Bioinformatics (2008), 70(3), 639-649, database is CAplus and MEDLINE.

The ion transport activity of the sarco/endoplasmic reticulum calcium ATPase (SERCA) is specifically and potently inhibited by the small mol. 2,5-di-tert-butylhydroquinone (BHQ). In this study, we investigated the relative importance of the nature and position of BHQ’s four substituents for enzyme inhibition by employing a combination of exptl. and computational techniques. The inhibitory potencies of 21 com. available or synthesized BHQ derivatives were determined in ATPase activity assays, and 11 compounds were found to be active. Maximum inhibitory potency was observed in compounds with two para hydroxyl groups, whereas BHQ analogs with only one hydroxyl group were still active, albeit with a reduced potency. The results also demonstrated that two alkyl groups were an absolute requirement for activity, with the most potent compounds having 2,5-substituents with four or five carbon atoms at each position. Using the program GOLD in conjunction with the ChemScore scoring function, the structures of the BHQ analogs were docked into the crystal structure of SERCA mimicking the enzyme’s E₂ conformation. Anal. of the docking results indicated that inhibitor binding to SERCA was primarily mediated by a hydrogen bond between a hydroxyl group and Asp59 and by hydrophobic interactions involving the bulky inhibitor alkyl groups. Attempts to dock BHQ into crystal structures corresponding to the E₁ conformation of the enzyme failed, because the conformational changes accompanying the E₂/E₁ transition severely restricted the size of the binding site, suggesting that BHQ stabilizes the enzyme in its E₂ form. The potential role of Glu309 in enzyme inhibition is discussed in the context of the computational results. The docking scores correlated reasonably well with the measured inhibitory potencies and allowed the distinction between active and inactive compounds, which is a key requirement for future virtual screening of large compound databases for novel SERCA inhibitors.

Proteins: Structure, Function, and Bioinformatics published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C22H38O2, Computed Properties of 903-19-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Minero, Claudio published the artcileRole of adsorption in photocatalyzed reactions of organic molecules in aqueous titania suspensions, Formula: C22H38O2, the publication is Langmuir (1992), 8(2), 481-6, database is CAplus.

The photocatalyzed transformation of chem. compounds strongly adsorbed on a particle surface was investigated in the presence of different photoactive and “inert” supports. For several compounds, such as dioctylquinol and chrysene, the rate of degradation is only slightly affected by the initial adsorption onto nonphotocatalytic materials (SiO₂, Al₂O₃) when irradiated in a slurry with added micrometer size TiO₂ particles. A rapid exchange of the substrate between the different inorganic supports was exptl. observed and explains the photocatalytic results. Decafluorobiphenyl (DFBP), which adsorbs tenaciously on Al₂O₃, degrades slowly when irradiated in the presence of TiO₂ particles. Measurements confirm that DFPB is poorly exchanged from alumina to TiO₂. Comparison with the results obtained using colloidal TiO₂ or silica particles, and with the behavior of pentafluorophenol, under otherwise identical conditions, suggests that the photogenerated oxidizing species does not migrate far from the photogenerated active centers and that the degradation process occurs at the surface or within a few monolayers around the photocatalytic particles.

Langmuir published new progress about 903-19-5. 903-19-5 belongs to alcohols-buliding-blocks, auxiliary class Benzene,Phenol, name is 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol, and the molecular formula is C22H38O2, Formula: C22H38O2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts