Category: 112-63-0

Liu, Jing; Ma, Shengtao; Lin, Meiqing; Tang, Jian; Yue, Congcong; Zhang, Zhang; Yu, Yingxin; An, Taicheng published the artcile< New mixed bromine/chlorine transformation products of tetrabromobisphenol A: Synthesis and identification in dust samples from an e-waste dismantling site>, Application In Synthesis of 112-63-0, the main research area is mixed bromine chlorine transformation product tetrabromobisphenol A dust ewaste.

The large-scale production and usage of tetrabromobisphenol A (TBBPA) and its analogs have caused widespread contamination, raising concern about their potential endocrine disruption effects on both humans and ecosystems. In the present study, debromination and unknown mixed bromine/chlorine transformation products of TBBPA (X-BBPA) were screened in dust samples from an e-waste dismantling site. Five monochloro products (2-chloro-2′,6,6′-TriBBPA, 2-chloro-2′,6-DiBBPA, 2-chloro-2′,6′-DiBBPA, 2-chloro-2′-MoBBPA, and 2-chloro-6-MoBBPA) and two dichloro products (2,2′-dichloro-6,6′-DiBBPA and 2,2′-dichloro-6-MoBBPA) were successfully synthesized and structurally identified. TBBPA and its transformation products were detected by comparison of their mass spectra and retention times with those of synthetic standards The mean concentration of X-BBPA was 1.63 x 104 ng/g in e-waste dismantling workshop dust samples based on dry weight, which was at a similar level to TBBPA. However, it was 1 order of magnitude lower than the concentrations of the debromination congeners. Thus, both debromination and chlorine-bromine exchange may be important reactions during the thermal processing of e-waste. The results on mixed chlorinated/brominated TBBPA transformation products provided new insights into TBBPA transformation. The elevated levels of the transformation products of TBBPA suggested that these products should be targeted to avoid underestimation of possible health risks.

Environmental Science & Technology published new progress about Air pollution. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail published the artcile< Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water>, Quality Control of 112-63-0, the main research area is crystal structure water guanidinium pyrenetetrasulfonate aminoalkane.

Guest mols. confined inside hollow mol. assemblies and thus protected from their environment can show unexpected structural behavior or special reactivity compared to their behavior in a bulk, unprotected environment. A special case is the coiling behavior of variable-length alkane chains in rigid hydrogen-bonded mol. cages. It has been found before that coiling may occur in such circumstances, but no exptl. evidence concerning the exact conformation of the chains has yet been presented. Self-assembly of a mol. cage in water and the crystalline state from three distinct components in which linear 1,ω-diammonium-alkanes chains are confined with different degrees of compression are reported. The exact coiling behavior is determined from at. resolution X-ray diffraction showing crenel-like conformations in the compressed state. Chem. selection can be obtained from mixtures of alkane chains via the encapsulation of kinetically stable conformations observed during the encapsulation of pure components. Moreover, it was found that uncompressed and compressed chains can be competitively trapped inside the capsule. These findings may provide insight in areas to a better understanding of biol. processes, such as the fatty acid metabolism

Chemical Science published new progress about COSY spectroscopy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Jianhua; Jiang, Chao published the artcile< Palladium-Catalyzed C-H Silylation of Aliphatic Ketones Using an Aminooxyamide Auxiliary>, Application In Synthesis of 112-63-0, the main research area is palladium catalyzed silylation aliphatic ketone aminooxyamide auxiliary; beta silyl ketone preparation.

A Pd-catalyzed β-C(sp3)-H silylation of aliphatic ketones with disilanes to afford β-silyl ketones is reported. The aminooxyamide auxiliary is critical for the C-H activation and silylation. The reaction tolerates a number of functional groups and shows good selectivity in silylating β-C(sp3)-H bonds in the company of C(sp2)-H bonds and acidic α-C(sp3)-H bonds. The reaction is scalable, and the aminooxyamide auxiliary is readily removed to give β-silyl ketones, which could serve as useful building blocks for organic synthesis. Late-stage diversification using this protocol is demonstrated in the silylation of santonin with good yield.

Organic Letters published new progress about Aliphatic ketones Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kavouridis, Vasileios K.; Ligon, Keith L.; Wen, Patrick Y.; Iorgulescu, J. Bryan published the artcile< Survival outcomes associated with MGMT promoter methylation and temozolomide in gliosarcoma patients>, Synthetic Route of 112-63-0, the main research area is Chemotherapy; Glioblastoma; Gliosarcoma; MGMT promoter methylation; Temozolomide.

Abstract: Purpose: Gliosarcoma is an uncommon glioblastoma subtype, for which MGMT promoter methylation′s relationship with response to temozolomide chemotherapy is unclear. We therefore examined this question using a national cohort. Methods: The National Cancer Database was queried for patients histopathol. diagnosed with gliosarcoma between 2010 and 2019. The associations between MGMT promoter methylation, first-line single-agent chemotherapy-presumed to be temozolomide herein-and overall survival (OS) were examined using log-rank tests and Cox regression, with correction for multiple testing (p < 0.01 was significant). Results: 580 newly-diagnosed gliosarcoma patients with MGMT status were available, among whom 33.6% were MGMT promoter methylated. Median OS for gliosarcoma patients that received standard-of-care temozolomide and radiotherapy was 12.1 mo (99% confidence interval [CI] 10.8-15.1) for MGMT promoter unmethylated and 21.4 mo (99% CI 15.4-26.2) for MGMT promoter methylated gliosarcomas (p = 0.003). In multivariable anal. of gliosarcoma patients-which included the potential confounders of age, sex, maximal tumor size, extent of resection, and radiotherapy-receipt of temozolomide was associated with improved OS in both MGMT promoter methylated (hazard ratio [HR] 0.23 vs. no temozolomide, 99% CI 0.11-0.47, p < 0.001) and unmethylated (HR 0.50 vs. no temozolomide, 99% CI 0.29-0.89, p = 0.002) gliosarcomas. MGMT promoter methylation was associated with improved OS among temozolomide-treated gliosarcoma patients (p < 0.001), but not in patients who did not receive chemotherapy (p = 0.35). Conclusion: In a national anal. of gliosarcoma patients, temozolomide was associated with prolonged OS irresp. of MGMT status. These results provide support for the current practice of trimodal therapy for gliosarcoma. Journal of Neuro-Oncology published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Morgan, Alexander B.; Jurs, Joshua L.; Tour, James M. published the artcile< Synthesis, flame-retardancy testing, and preliminary mechanism studies of nonhalogenated aromatic boronic acids: a new class of condensed-phase polymer flame-retardant additives for acrylonitrile-butadiene-styrene and polycarbonate>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aromatic boronic acid flame retardant preparation; polycarbonate benzenediboronic acid fire resistance; ABS aromatic boronic acid flame retardancy mechanism.

This study describes the syntheses and thermal properties of aromatic boronic acids and their use as flame retardants. The possible flame-retardancy mechanisms are also discussed. The materials were synthesized from aromatic bromides using one of two procedures. The first procedure involved traditional approaches to boronic acids, using lithium-halogen exchange and quenching with trimethylborate followed by hydrolysis. The second procedure used a nickel catalyst and a dialkoxy borane to generate aromatic dialkoxyboronates that were converted to boronic acids by acid hydrolysis. The thermal properties of these aromatic boronic acids were studied using differential scanning calorimetry (DSC) and thermal gravimetric anal. (TGA). These materials were blended into acrylonitrile-butadiene-styrene (ABS) and polycarbonate (PC) resins and tested for ignition resistance, using the UL-94 flame test. A 10 wt % loading of 1,4-benzenediboronic acid in polycarbonate gave a UL-94 V-0 result. This same diboronic acid showed flame retardancy and char formation in ABS, but this result was not quantifiable by the UL-94 test. Burn times for the ABS samples often exceeded 5 min, thereby showing unusual resistance to consumption by fire.

Journal of Applied Polymer Science published new progress about Catalysts. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Schnoeller, Leon Emanuel; Albrecht, Valerie; Brix, Nikko; Nieto, Alexander Edward; Fleischmann, Daniel Felix; Niyazi, Maximilian; Hess, Julia; Belka, Claus; Unger, Kristian; Lauber, Kirsten; Orth, Michael published the artcile< Integrative analysis of therapy resistance and transcriptomic profiling data in glioblastoma cells identifies sensitization vulnerabilities for combined modality radiochemotherapy>, Application In Synthesis of 112-63-0, the main research area is human glioblastoma cell therapy resistance transcriptomics radiochemotherapy; ATM; ATR; Chemosensitization; Clonogenic survival; Correlation analysis; DNA damage response; Glioblastoma; LIG4; Radiosensitization; Radiotherapy; Temozolomide; Therapy resistance.

Inherent resistance to radio/chemotherapy is one of the major reasons for early recurrence, treatment failure, and dismal prognosis of glioblastoma. Thus, the identification of resistance driving regulators as prognostic and/or predictive markers as well as potential vulnerabilities for combined modality treatment approaches is of pivotal importance. We performed an integrative anal. of treatment resistance and DNA damage response regulator expression in a panel of human glioblastoma cell lines. mRNA expression levels of 38 DNA damage response regulators were analyzed by qRT-PCR. Inherent resistance to radiotherapy (single-shot and fractionated mode) and/or temozolomide treatment was assessed by clonogenic survival assays. Resistance scores were extracted by dimensionality reduction and subjected to correlation analyses with the mRNA expression data. Top-hit candidates with pos. correlation coefficients were validated by pharmacol. inhibition in clonogenic survival assays and DNA repair analyses via residual γH2AX/53BP1-foci staining. Inherent resistance to single-shot and similarly also to fractionated radiotherapy showed strong pos. correlations with mRNA expression levels of known vulnerabilities of GBM, including PARP1, NBN, and BLM, as well as ATR and LIG4-two so far underestimated targets. Inhibition of ATR by AZD-6738 resulted in robust and dose-dependent radiosensitization of glioblastoma cells, whereas LIG4 inhibition by L189 had no noticeable impact. Resistance against temozolomide showed strong pos. correlation with mRNA expression levels of MGMT as to be expected. Interestingly, it also correlated with mRNA expression levels of ATM, suggesting a potential role of ATM in the context of temozolomide resistance in glioblastoma cells. ATM inhibition exhibited slight sensitization effects towards temozolomide treatment in MGMT low expressing glioblastoma cells, thus encouraging further characterization. Here, we describe a systematic approach integrating clonogenic survival data with mRNA expression data of DNA damage response regulators in human glioblastoma cell lines to identify markers of inherent therapy resistance and potential vulnerabilities for targeted sensitization. Our results provide proof-of-concept for the feasibility of this approach, including its limitations. We consider this strategy to be adaptable to other cancer entities as well as other mol. data qualities, and its upscaling potential in terms of model systems and observational data levels deserves further investigation.

Radiation Oncology published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (ATR). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Wu, Xiaoting; Qi, Xiaoyi; Wang, Jing; Zhang, Yunying; Xiao, Yanwei; Tu, Caixia; Wang, Aoxue published the artcile< Paeoniflorin attenuates the allergic contact dermatitis response via inhibiting the IFN-γ production and the NF-κB/IκBα signaling pathway in T lymphocytes>, Computed Properties of 112-63-0, the main research area is paeoniflorin attenuate allergic dermatitis inhibiting IFNG NFkB IkBa signaling; Allergic contact dermatitis; Mice; NF-κB signaling pathway; Paeoniflorin; T lymphocytes.

Paeoniflorin (PF) has been demonstrated to have an anti-allergic and anti-inflammatory effect in the treatment of allergic contact dermatitis (ACD). However, its clin. application is hampered by the lacking of comprehensive mech. explanation. This research aimed to study the effect of PF on the proliferation, apoptosis and cytokines secretion as well as the expression of nuclear factor-kappa B (NF-κB) and mitogen-activated protein kinase (MAPK) signaling pathways of T lymphocytes activation in vitro and in vivo. We found that PF depressed human T lymphocytes activation via inhibition of interferon-gamma (IFN-γ) production and NF-κB/IκBα and p38 MAPK signaling pathway in vitro, also PF could attenuate such ACD responses by inhibiting the production of IFN-γ and NF-κB/IκBα pathway in T lymphocytes of ACD mouse model, suggesting that PF might be useful for the treatment of T cell-mediated allergic inflammatory disorders such as ACD. This would make PF a promising T cell-targeted drug candidate for further study because of its immunosuppressive and anti-inflammatory effects.

International Immunopharmacology published new progress about Allergic contact dermatitis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Kvasnica, M.; Oklestkova, J.; Bazgier, V.; Rarova, L.; Korinkova, P.; Mikulik, J.; Budesinsky, M.; Beres, T.; Berka, K.; Lu, Q.; Russinova, E.; Strnad, M. published the artcile< Design, synthesis and biological activities of new brassinosteroid analogues with a phenyl group in the side chain>, COA of Formula: C19H34O2, the main research area is brassinolide analog preparation plant hormone antitumor agent cytotoxicity; etiolated pea seedlings plant hormone ethylene production differences.

We have prepared and studied a series of new brassinosteroid derivatives with a p-substituted Ph group in the side chain. To obtain the best comparison between mol. docking and biol. activities both types of brassinosteroids were synthesized; 6-ketones, 10 examples, and B-lactones, 8 examples. The Ph group was introduced into the steroid skeleton by Horner-Wadsworth-Emmons. The docking studies were carried out using AutoDock Vina 1.05. Plant biol. activities were established using different brassinosteroid bioassays in comparison with natural brassinosteroids. Differences in the production of the plant hormone ethylene were also observed in etiolated pea seedlings after treatment with new brassinosteroids. The most active compounds were lactone I and 6-oxo derivatives II [R2 = H, F], their biol. activities were comparable or even better than naturally occurring brassinolide. Finally the cytotoxicity of the new derivatives was studied using human normal and cancer cell lines.

Organic & Biomolecular Chemistry published new progress about Antiproliferative agents (weak to moderate). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Whitehead, Daniel C.; Fhaner, Matthew; Borhan, Babak published the artcile< A peptide bromoiodinane approach for asymmetric bromolactonization>, SDS of cas: 112-63-0, the main research area is bromomethylphenyltetrahydrofuranone enantioselective preparation; phenylpentenoic acid asym bromolactonization iodoarylpeptide catalyst; iodoarylpeptide solid phase preparation bromolactonization.

A series of 37 peptides containing an iodo-aryl amide active site were generated by means of both solid phase and conventional synthesis. These peptides were screened for asym. induction in the bromolactonization of 4-phenyl-4-pentenoic acid based on the generation of chiral bromoiodinane bromenium sources. The study culminated in the discovery of a tri-peptide iodo-aryl amide that effected the desired bromolactonization in quant. conversion with 24% ee. The experiments disclosed herein provided valuable insight that ultimately facilitated the development of more synthetically useful enantioselective halocyclization methodol.

Tetrahedron Letters published new progress about Enantioselective synthesis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rozsar, Daniel; Formica, Michele; Yamazaki, Ken; Hamlin, Trevor A.; Dixon, Darren J. published the artcile< Bifunctional Iminophosphorane Catalyzed Enantioselective Sulfa-Michael Addition to Unactivated α,β-Unsaturated Amides>, Application In Synthesis of 112-63-0, the main research area is bifunctional iminophosphorane catalyst preparation potential energy surface; unsaturated amide thiol iminophosphorane catalyst enantioselective Michael addition; thioamide preparation.

The first metal-free catalytic intermol. enantioselective Michael addition to unactivated α,β-unsaturated amides was described. Consistently high enantiomeric excesses and yields were obtained over a wide range of alkyl thiol pronucleophiles and electrophiles under mild reaction conditions, enabled by a novel squaramide-based bifunctional iminophosphorane (BIMP) catalyst. Low catalyst loadings (2.0 mol %) were achieved on a decagram scale, demonstrating the scalability of the reaction. Computational anal. revealed the origin of the high enantiofacial selectivity via anal. of relevant transition structures and provided substantial support for specific noncovalent activation of the carbonyl group of the α,β-unsaturated amide by the catalyst.

Journal of the American Chemical Society published new progress about Enantioselective synthesis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics