Category: 112-63-0

Iba, Hikari; Watanabe, Takuya; Motomura, Saori; Harada, Kyoka; Uesugi, Haruka; Shibahara, Takenori; Kubota, Kaori; Katsurabayashi, Shutaro; Iwasaki, Katsunori published the artcile< A Japanese herbal medicine attenuates anxiety-like behavior through GABAA receptor and brain-derived neurotrophic factor expression in a rat model of premenstrual syndrome>, Product Details of C19H34O2, the main research area is premenstrual syndrome anxiety GABAA receptor neurotrophic factor expression; Anxiety; GABA(A) receptor β2-subunit; Herbal medicine; Premenstrual syndrome; Progesterone.

Inochinohaha White (IHW) is a Japanese herbal medicine for treating women with anxiety associated with premenstrual syndrome (PMS). In this study, we examined the effects of IHW on anxiety-like behavior in rats undergoing progesterone withdrawal (PWD), a model for PMS. Female rats were injected daily with progesterone for 21 days. Water and ethanol extracts of IHW (WE-IHW and EE-IHW, resp.) were administered orally 15 days after the initiation of progesterone injections. Anxiety-like behavior in an elevated plus maze was evaluated 48 h after the final injection of progesterone. PWD induced anxiety-like behavior, and EE-IHW (300 mg/kg), but not WE-IHW, significantly attenuated this behavior. Administration of the GABA agonists, diazepam or muscimol, significantly attenuated PWD-induced anxiety-like behavior. To investigate the underlying mechanisms of IHW action, we analyzed GABAA receptor expression in the amygdala of these rats. EE-IHW ameliorated the PWD-induced decrease in GABAA receptor β2-subunit mRNA, although β2-subunit protein was unchanged. Brain-derived neurotrophic factor (BDNF) has been reported to have anxiolytic effects and enhance GABAergic synaptic transmission. We found that EE-IHW increased BDNF levels in a dose-dependent manner. Our results suggest that EE-IHW attenuates PWD-induced anxiety-like behavior by increasing GABAA receptor-mediated signaling via increases in β2-subunit and BDNF in the amygdala.

Journal of Pharmacological Sciences (Amsterdam, Netherlands) published new progress about Amygdala. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Lu, Chuanjun; Guo, Yueyan; Yan, Jun; Luo, Zonghua; Luo, Hai-Bin; Yan, Ming; Huang, Ling; Li, Xingshu published the artcile< Design, Synthesis, and Evaluation of Multitarget-Directed Resveratrol Derivatives for the Treatment of Alzheimer's Disease>, Related Products of 112-63-0, the main research area is resveratrol derivative preparation Alzheimer treatment beta amyloid aggregation inhibitor; biometal chelator resveratrol derivative Alzheimer treatment; antioxidant resveratrol derivative Alzheimer treatment.

A series of multitarget-directed resveratrol derivatives was designed and synthesized for the treatment of Alzheimer’s disease (AD). In vitro studies indicated that most of the target compounds exhibit significant inhibition of self-induced β-amyloid (Aβ) aggregation and Cu(II)-induced Aβ1-42 aggregation and acted as potential antioxidants and biometal chelators. In particular, compounds I (R = Me) (II) and I (R = H) (III) are potential lead compounds for AD therapy (II, IC50 = 7.56 μM and III, IC50 = 6.51 μM for self-induced Aβ aggregation; the oxygen radical absorbance capacity assay using fluorescein (ORAC-FL) values are 4.72 and 4.70, resp.). Moreover, these compounds are capable of disassembling the highly structured Aβ fibrils generated by self- and Cu(II)-induced Aβ aggregation. Furthermore, II crossed the blood-brain barrier (BBB) in vitro and did not exhibit any acute toxicity in mice at doses of up to 2000 mg/kg. Taken together, the data indicate that II is a very promising lead compound for AD.

Journal of Medicinal Chemistry published new progress about Alzheimer disease. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Le Rhun, Emilie; Oppong, Felix Boakye; Vanlancker, Maureen; Stupp, Roger; Nabors, Burt; Chinot, Olivier; Wick, Wolfgang; Preusser, Matthias; Gorlia, Thierry; Weller, Michael published the artcile< Prognostic significance of therapy-induced myelosuppression in newly diagnosed glioblastoma.>, Computed Properties of 112-63-0, the main research area is anemia; chemoradiotherapy; lymphopenia; neutropenia; progression; survival; temozolomide; thrombocytopenia.

BACKGROUND: Myelosuppression is the major toxicity encountered during temozolomide chemoradiotherapy for newly diagnosed glioblastoma. METHODS: We assessed the association of myelosuppression (neutropenia, thrombocytopenia, anemia, and lymphopenia) during temozolomide chemoradiotherapy alone or in combination with experimental agents with progression-free survival (PFS) or overall survival (OS) in 2073 patients with newly diagnosed glioblastoma enrolled into five clinical trials: CENTRIC, CORE, EORTC 26082, AVAglio, and EORTC 26981. A landmark Cox model was used. For each primary association analysis, a significance level of 1.7% was used. RESULTS: Lower neutrophil counts at baseline were associated with better PFS (P = .011) and OS (P < .001), independently of steroid intake. Females experienced uniformly more myelotoxicity than males. Lymphopenia during concomitant chemoradiotherapy was associated with OS (P = .009): low-grade (1-2) lymphopenia might be associated with superior OS (HR 0.78, 98.3% CI 0.58-1.06), whereas high-grade (3-4) lymphopenia might be associated with inferior OS (HR 1.08, 98.3% CI 0.75-1.54). There were no associations of altered hematological parameters during concomitant chemoradiotherapy with PFS. During maintenance chemoradiotherapy, no significant association was found between any parameter of myelosuppression and PFS or OS, although exploratory analysis at 5% significance level indicated that either mild-to-moderate (HR 0.76, 95% CI 0.62-0.93) or high-grade lymphopenia (HR 0.65, 95% CI 0.46-0.92) was associated with superior OS (P = .013), but not PFS. CONCLUSIONS: The association of higher neutrophil counts at baseline with inferior PFS and OS requires further prospective evaluation. The link of therapy-induced lymphopenia to better outcome may guide the design for immunotherapy trials in newly diagnosed glioblastoma. Neuro-oncology published new progress about 112-63-0. 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

Ji, Na; Liu, Zhenyu; Diao, Xinyong; Bao, Jinrong; Yu, Zhihao; Song, Chunfeng; Liu, Qingling; Ma, Degang; Lu, Xuebin published the artcile< A novel Ni/AC catalyst prepared by MOCVD method for hydrogenation of ethyl levulinate to γ-valerolactone>, Category: esters-buliding-blocks, the main research area is nickel catalyst prepared vapor deposition ethyl levulinate hydrogenation valerolactone.

GVL (γ-valerolactone) is identified as an important biomass platform mol. due to its wide application. In this work, a series of novel supported Ni catalysts with different supports and Ni loading were synthesized via metal-organic chem. vapor deposition (MOCVD) method for the hydrogenation of EL (Et levulinate) to GVL. Fourier transform IR spectroscopy, X-ray powder diffraction, nitrogen adsorption/desorption, inductively coupled plasma optical emission spectroscopy and transmission electron microscopy were used to characterize the as-synthesized catalysts. The results showed that the 2 weight% Ni/AC(MOCVD) presented superior catalytic activity when compared with the catalyst prepared by impregnation method. This behavior is explained in terms of the smaller Ni nanoparticles (4.28 nm) and higher dispersion on 2 weight% Ni/AC(MOCVD). Among the catalysts, the 2 weight% Ni/AC catalyst exhibited the best catalytic performance with 99.7% EL conversion and 79.8% GVL yield under 1 MPa initial H2 pressure (measured at room temperature) at 250°C for 2 h. In addition, the reaction conditions were optimized and the stability of the catalyst were also investigated. The insights gained from this study in the design of high dispersed Ni particles with smaller particle size via MOCVD method will facilitate the metal-catalyzed hydrogenation of EL to GVL.

Molecular Catalysis published new progress about Adsorption. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Bamborough, Paul; Barnett, Heather A.; Becher, Isabelle; Bird, Mark J.; Chung, Chun-wa; Craggs, Peter D.; Demont, Emmanuel H.; Diallo, Hawa; Fallon, David J.; Gordon, Laurie J.; Grandi, Paola; Hobbs, Clare I.; Hooper-Greenhill, Edward; Jones, Emma J.; Law, Robert P.; Le Gall, Armelle; Lugo, David; Michon, Anne-Marie; Mitchell, Darren J.; Prinjha, Rab K.; Sheppard, Robert J.; Watson, Allan J. B.; Watson, Robert J. published the artcile< GSK6853, a Chemical Probe for Inhibition of the BRPF1 Bromodomain>, HPLC of Formula: 112-63-0, the main research area is GSK6853 inhibitor BRPF1 bromodomain; BET; BRD1; BRPF1; BRPF2; BRPF3; bromodomain; chemical probe; epigenetics; inhibitor.

The BRPF (Bromodomain and PHD Finger-containing) protein family are important scaffolding proteins for assembly of MYST histone acetyltransferase complexes. A selective benzimidazolone BRPF1 inhibitor showing micromolar activity in a cellular target engagement assay was recently described. Herein, we report the optimization of this series leading to the identification of a superior BRPF1 inhibitor suitable for in vivo studies.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents (potential as). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Wang, Lin; Xing, Xi; Zeng, Xianfeng; Jackson, S. RaElle; TeSlaa, Tara; Al-Dalahmah, Osama; Samarah, Laith Z.; Goodwin, Katharine; Yang, Lifeng; McReynolds, Melanie R.; Li, Xiaoxuan; Wolff, Jeremy J.; Rabinowitz, Joshua D.; Davidson, Shawn M. published the artcile< Spatially resolved isotope tracing reveals tissue metabolic activity>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is infusion nutrient isotope 3hydroxybutyrate hippocampus midbrain medulla thalamus metabolism.

Isotope tracing has helped to determine the metabolic activities of organs. Method to probe metabolic heterogeneity within organs are less developed. We couple stable-isotope-labeled nutrient infusion to matrix-assisted laser desorption ionization imaging mass spectrometry (iso-imaging) to quantitate metabolic activity in mammalian tissues in a spatially resolved manner. In the kidney, we visualize gluconeogenic flux and glycolytic flux in the cortex and medulla, resp. Tricarboxylic acid cycle substrate usage differs across kidney regions; glutamine and citrate are used preferentially in the cortex and fatty acids are used in the medulla. In the brain, we observe spatial gradations in carbon inputs to the tricarboxylic acid cycle and glutamate under a ketogenic diet. In a carbohydrate-rich diet, glucose predominates throughout but in a ketogenic diet, 3-hydroxybutyrate contributes most strongly in the hippocampus and least in the midbrain. Brain nitrogen sources also vary spatially; branched-chain amino acids contribute most in the midbrain, whereas ammonia contributes in the thalamus. Thus, iso-imaging can reveal the spatial organization of metabolic activity.

Nature Methods published new progress about Amino acid metabolism disorders. 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

Zhdankin, Viktor V.; Persichini, P. J. III; Zhang, Lu; Fix, Shannon; Kiprof, Paul published the artcile< Synthesis and structure of benzoboroxoles: novel organoboron heterocycles>, Product Details of C19H34O2, the main research area is crystal structure benzoxaborole dihydro hydroxy; mol structure benzoxaborole dihydro hydroxy; benzoxaborole dihydro hydroxy preparation structure substitution reaction; heterocyclic compound oxygen boron preparation structure reactivity theor calculation; borate cyclization lithiated benzyl alc; Ab initio MO calculation benzoxaborole; Hartree Fock MP2 B3LYP density functional theory benzoxaborole structure; hydrogen bond intermol cyclic oxygen hydroxy hydrogen benzoxaborole.

Benzoxaboroles (I) (R = H, CH3, CF3) were prepared from the readily available o-bromobenzyl or o-iodobenzyl alcs. via dilithiation followed by reaction with triisopropyl borate. X-ray structural anal. of 1-hydroxy-1,3-dihydro-2,1-benzoxaborole as well as the results of ab initio MO calculations indicated a planar structure of the boron center with a relatively short C-B bond. Preliminary results regarding the chem. of benzoxaboroles were also reported.

Tetrahedron Letters published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Balijapalli, Umamahesh; Tang, Xun; Okada, Daichi; Lee, Yi-Ting; Karunathilaka, Buddhika S. B.; Auffray, Morgan; Tumen-Ulzii, Ganbaatar; Tsuchiya, Youichi; Sandanayaka, Atula S. D.; Matsushima, Toshinori; Nakanotani, Hajime; Adachi, Chihaya published the artcile< A 2,6-Dicarbonitrile Diphenyl-1λ5-Phosphinine (DCNP)-A Robust Conjugated Building Block for Multi-Functional Dyes Exhibiting Tunable Amplified Spontaneous Emission>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is dicarbonitrile diphenyl phosphinine dye building block amplified spontaneous emission.

Highly efficient organic light-emitting diodes (OLEDs) with the concurrent achievement of high external electroluminescence quantum efficiency (EQE) and low light amplification thresholds under optical excitation have been considered as a crucial evolution towards the development of high-performance elec. pumped organic semiconductor laser diodes. Herein, a series of 2,6-dicarbonitrile-diphenyl-1λ5-phosphinine (DCNP) based donor (D)-acceptor (A) type dyes with different electron-withdrawing and donating moieties have been designed and characterized. The well-manipulated D-A strength with tunable optical properties guaranteed the low amplified spontaneous emission (ASE) thresholds of below 10μJ cm-2 and furnished a wide-range color-tuning capability in the visible region (485-595 nm). Furthermore, employing a thermally-activated delayed fluorescence (TADF) mol. as a triplet harvester boosted the performance of OLEDs based on mDMCz that exhibits an exceptional EQE value of 18.4% which is an eightfold enhancement as compared with that of standard fluorescence OLEDs. Also, the TADF-assistant fluorescence (TAF) system enables a reduction of the ASE threshold to 3μJ cm-2 and excellent ASE stability. These results provide a rational design strategy to construct color-tunable lasing dyes with reduced ASE thresholds and clarify their potentiality as the fluorescent dopant in the TAF system to utilize up-converted triplet excitons via efficient energy transfer.

Advanced Optical Materials published new progress about Absorption. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Melnick, Kaitlyn F.; Miller, Patricia; Carmichael, Ethan; McGrath, Kyle; Ghiaseddin, Ashley; Tran, David D.; Rahman, Maryam published the artcile< The trial effect in patients with glioblastoma: effect of clinical trial enrollment on overall survival>, Application of C19H34O2, the main research area is Clinical Trial; Glioblastoma; Glioma; Neuro-oncology.

Abstract: Purpose: To determine whether participation in a clin. trial was associated with improved survival in patients with glioblastoma (GBM). Methods: Following IRB approval, patients were identified using CPT and ICD codes. Data was collected using retrospective review of electronic medical records. When necessary, death data was obtained from online obituaries. Inverse propensity score matching was utilized to transform the two cohorts to comparable sets. Survival was compared using Kaplan-Meyer curves and Wilcoxon Rank Sum Test. Results: In this cohort of 365 patients, 89 were enrolled in a clin. trial and 276 were not. Patients enrolled in clin. trials had a significantly higher mean baseline KPS score, higher proportion of surgical resections, and were more likely to receive temozolomide treatment than patients not enrolled in a clin. trial. After inverse propensity score matching, patients enrolled in a clin. trial lived significantly longer than those not enrolled (28.8 vs 22.2 mo, p = 0.005). A potential confounder of this study is that patients not in a clin. trial had significantly fewer visits with neuro-oncologists than patients enrolled in a clin. trial (7 ± 8 vs 12 ± 9, p < 0. 0001). Conclusions: Clin. trials enroll patients with the most favorable prognostic features. Even when correcting for this bias, clin. trial enrollment is an independent predictor of increased survival regardless of treatment arm. 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, Application of C19H34O2.

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

Sakauchi, Nobuki; Kohara, Yasuhisa; Sato, Ayumu; Suzaki, Tomohiko; Imai, Yumi; Okabe, Yuichi; Imai, Shigemitsu; Saikawa, Reiko; Nagabukuro, Hiroshi; Kuno, Haruhiko; Fujita, Hisashi; Kamo, Izumi; Yoshida, Masato published the artcile< Discovery of 5-Chloro-1-(5-chloro-2-(methylsulfonyl)benzyl)-2-imino-1,2-dihydropyridine-3-carboxamide (TAK-259) as a Novel, Selective, and Orally Active α1D Adrenoceptor Antagonist with Antiurinary Frequency Effects: Reducing Human Ether-a-go-go-Related Gene (hERG) Liabilities>, Formula: C19H34O2, the main research area is adrenoceptor antagonist incontinence hERG; crystal structure adrenoceptor antagonist incontinence.

A novel structural class of iminopyridine derivative 1 was identified as a potent and selective human α1D adrenoceptor (α1D adrenergic receptor; α1D-AR) antagonist against α1A- and α1B-AR through screening of an inhouse compound library. From initial structure-activity relationship studies, we found lead compound 9m with hERG K+ channel liability. To develop analogs with reduced hERG K+ channel inhibition, a combination of site-directed mutagenesis and docking studies was employed. Further optimization led to the discovery of I and II, which showed antagonistic activity by a bladder strip test in rats with bladder outlet obstruction, as well as ameliorated cystitis-induced urinary frequency in rats. Ultimately, 9u was selected as a clin. candidate. This is the first study to show the utility of iminopyridine derivatives as selective α1D-AR antagonists and evaluate their effects in vivo.

Journal of Medicinal Chemistry published new progress about Androgen receptor antagonists. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

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