Tag: M.W=250-300

Chen, Xingmei; Dang, Limin; Yang, Hai; Huang, Xianwei; Yu, Xinliang published the artcile< Machine learning-based prediction of toxicity of organic compounds towards fathead minnow>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is SAR Pimephales promelas organic compound toxicity machine learning.

Predicting the acute toxicity of a large dataset of diverse chems. against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an approx. ratio of 1 : 1. Only six mol. descriptors were used to establish the quant. structure-activity/toxicity relationship (QSAR/QSTR) model for 96 h pLC50 through a support vector machine (SVM) along with genetic algorithm. The optimal SVM model (R2 = 0.756) was verified using both internal (leave-one-out cross-validation) and external validations. The validation results (qint2 = 0.699 and qext2 = 0.744) were satisfactory in predicting acute toxicity in fathead minnows compared with other models reported in the literature, although our SVM model has only six mol. descriptors and a large data set for the test set consisting of 481 compounds

RSC Advances published new progress about Genetic algorithm. 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

Tom, Martin C; Milano, Michael T; Chao, Samuel T; Soltys, Scott G; Knisely, Jonathan P S; Sahgal, Arjun; Nagpal, Seema; Lo, Simon S; Jabbari, Siavash; Wang, Tony J C; Ahluwalia, Manmeet S; Simonson, Marian; Palmer, Joshua D; Gephart, Melanie Hayden; Halasz, Lia M; Garg, Amit K; Chiang, Veronica L S; Chang, Eric L published the artcile< Executive summary of American Radium Society's appropriate use criteria for the postoperative management of lower grade gliomas.>, SDS of cas: 112-63-0, the main research area is Anaplastic glioma; Grade 2 glioma; Grade 3 glioma; Guidelines; Low grade glioma; Lower grade glioma.

Postoperative management of lower grade gliomas (grade 2 and 3) is heterogeneous. The American Radium Society’s brain malignancies panel systematically reviewed and evaluated the literature to develop consensus guidelines addressing timing of postoperative therapy, monotherapy versus combined modality therapy, type of chemotherapy used with radiotherapy, and radiotherapy dose. Thirty-six studies were included. Using consensus methodology (modified Delphi), the panel voted upon representative case variants using a 9-point appropriateness scale to address key questions. Voting results were collated to develop summarized recommendations. Following gross-total surgical resection, close surveillance is appropriate for well-selected grade 2, IDH-mutant oligodendrogliomas or astrocytomas with low-risk features. For grade 2 gliomas with high-risk features or any grade 3 glioma, immediate adjuvant therapy is recommended. When postoperative therapy is administered, radiation and planned chemotherapy is strongly recommended over monotherapy. For grade 2 and 3 IDH-mutant oligodendrogliomas and astrocytomas, either adjunctive PCV (procarbazine, lomustine, vincristine) or temozolomide is appropriate. For grade 3 IDH-mutant astrocytomas, radiotherapy followed by temozolomide is strongly recommended. The recommended radiotherapy dose for grade 2 gliomas is 45-54 Gy/1.8-2.0 Gy, and for grade 3 gliomas is 59.4-60 Gy/1.8-2.0 Gy. While multiple appropriate treatment options exist, these consensus recommendations provide an evidence-based framework to approach postoperative management of lower grade gliomas.

Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology published new progress about 112-63-0. 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

Wang, Baobei; Pan, Xueshan; Wang, Fang; Liu, Lulu; Jia, Jing published the artcile< Photoprotective carbon redistribution in mixotrophic Haematococcus pluvialis under high light stress>, HPLC of Formula: 112-63-0, the main research area is Haematococcus high light stress photoprotective carbon redistribution; Astaxanthin biosynthesis; Differential proteomics; Photorespiration; Photosynthetic apparatus; Regulatory mechanisms.

Mixotrophy of Haematococcus pluvialis is a potential strategy for producing astaxanthin. However, this strategy has not been extensively commercialized because the mixotrophic mechanisms by which H. pluvialis overcomes high light stress are unclear. This study analyzed the biochem. compositions and differential proteomics of mixotrophic H. pluvialis under different light conditions. High light exposure substantially increased astaxanthin, carbohydrate, and fatty acid contents. A total of 119 and 81 proteins were significantly up- and down-regulated after two days of high light exposure. These proteins mainly enriched pathways for photosynthetic metabolism, glyoxylate cycle, and biosynthesis of secondary metabolites. This study proposed a regulatory model through which mixotrophic H. pluvialis copes with high light stress. The model includes pathways for modulating photosynthetic apparatus, increasing astaxanthin accumulation by enhancing photorespiration, pentose phosphate and Embden-Meyerhof-Parna pathways, while thickening the cell wall by malate-oxaloacetate shuttle.

Bioresource Technology published new progress about Antioxidant enzymes Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Ohno, Osamu; Ye, Mao; Koyama, Tomoyuki; Yazawa, Kazunaga; Mura, Emi; Matsumoto, Hiroshi; Ichino, Takao; Yamada, Kaoru; Nakamura, Kazuhiko; Ohno, Tomohiro; Yamaguchi, Kohji; Ishida, Junji; Fukamizu, Akiyoshi; Uemura, Daisuke published the artcile< Inhibitory effects of benzyl benzoate and its derivatives on angiotensin II-induced hypertension>, SDS of cas: 112-63-0, the main research area is benzyl benzoate cinnamate derivative isolation preparation hypertension.

Hypertension is a lifestyle-related disease which often leads to serious conditions such as heart disease and cerebral hemorrhage. Angiotensin II (Ang II) plays an important role in regulating cardiovascular homeostasis. Consequently, antagonists that block the interaction of Ang II with its receptors are thought to be effective in the suppression of hypertension. In this study, we searched for plant compounds that had antagonist-like activity toward Ang II receptors. From among 435 plant samples, we found that EtOH extract from the resin of sweet gum Liquidambar styraciflua strongly inhibited Ang II signaling. We isolated benzyl benzoate and benzyl cinnamate from this extract and found that those compounds inhibited the function of Ang II in a dose-dependent manner without cytotoxicity. An in vivo study showed that benzyl benzoate significantly suppressed Ang II-induced hypertension in mice. In addition, we synthesized more than 40 derivatives of benzyl benzoate and found that the meta-Me and 3-methylbenzyl 2′-nitrobenzoate derivatives showed about 10-fold higher activity than benzyl benzoate itself. Thus, benzyl benzoate, its derivatives, and benzyl cinnamate may be useful for reducing hypertension.

Bioorganic & Medicinal Chemistry published new progress about Angiotensin AT1 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Huang, Ning; Nagai, Atsushi; Jiang, Donglin published the artcile< Anthracene-based covalent organic frameworks and layer locking-and-unlocking driven by external stimuli>, Computed Properties of 112-63-0, the main research area is anthracene covalent organic framework locking driven stimuli.

Covalent organic frameworks (COFs) are an intriguing class of crystalline porous polymers, which allow the covalent integration of organic units into periodicity. Because of their high surface area, excellent thermal stability, and low densities, COFs have emerged as a new media for gas adsorption. We have synthesized various COFs with π electronic building blocks and developed light-emitting, semiconducting, photoconducting, and charge separating properties.

PMSE Preprints published new progress about Absorption spectra. 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

Khan, Ali; Pervaiz, Aini; Ansari, Bushra; Ullah, Riaz; Shah, Syed Muhammad Mukarram; Khan, Haroon; Saeed Jan, Muhammad; Hussain, Fida; Ijaz Khan, Mohammad; Albadrani, Ghadeer M.; Altyar, Ahmed E.; Abdel-Daim, Mohamed M. published the artcile< Phytochemical Profiling, Anti-Inflammatory, Anti-Oxidant and In-Silico Approach of Cornus macrophylla Bioss (Bark)>, Quality Control of 112-63-0, the main research area is Cornus macrophylla antiinflammatory antioxidant phytochem profiling; Cornus macrophylla; GC-MS; anti-inflammatory; antioxidant.

The objective of the current study was to evaluate the phytochem. and pharmacol. potential of the Cornus macrophylla. C. macrophylla belongs to the family Cornaceae. It is locally known as khadang and is used for the treatment of different diseases such as analgesic, tonic, diuretic, malaria, inflammation, allergy, infections, cancer, diabetes, and lipid peroxidative. The crude extract and different fractions of C. macrophyll were evaluated by gas chromatog. and mass spectroscopy (GC-MS), which identified the most potent bioactive phytochems. The antioxidant ability of C. macrophylla was studied by 2,2′-azino-bis-3-ethylbenzthiazoline-6-sulfonic acid (ABTS) and 1,1 diphenyl-2-picryl-hydrazyl (DPPH) methods. The crude and subsequent fractions of the C. macrophylla were also tested against anti-inflammatory enzymes using COX-2 (Cyclooxygenase-2) and 5-LOX (5-lipoxygenase) assays. The mol. docking was carried out using mol. operating environment (MOE) software. The GC-MS study of C. macrophylla confirmed forty-eight compounds in Et acetate (Et.AC) fraction and revealed that the Et.AC fraction was the most active fraction. The antioxidant ability of the Et.AC fraction showed an IC50 values of 09.54μg/mL and 7.8μg/mL against ABTS and DPPH assay resp. Among all the fractions of C. macrophylla, Et.AC showed excellent activity against COX-2 and 5-LOX enzyme. The observed IC50 values were 93.35μg/mL against COX-2 and 75.64μg/mL for 5-LOX resp. Mol. docking studies supported these in vitro results and confirmed the anti-inflammatory potential of C. macrophylla. C. macrophylla has promising potential as a source for the development of new drugs against inflammation in the future.

Molecules published new progress about Anti-inflammatory agents. 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

Crosby, John; Moilliet, Jock; Parratt, Julian S.; Turner, Nicholas J. published the artcile< Regioselective hydrolysis of aromatic dinitriles using a whole cell catalyst>, HPLC of Formula: 112-63-0, the main research area is regioselective hydrolysis aromatic dinitrile biochem catalyst; whole cell catalyst hydrolysis aromatic dinitrile.

A series of aromatic dinitriles have been examined as substrates for an immobilized whole cell Rhodococcus sp. that catalyzes the hydrolysis of nitriles to amides and/or carboxylic acids. The fluorinated aromatic dinitriles were regioselectivity hydrolyzed to the corresponding cyano amides whereas the non-fluorinated analogs were converted to cyano acids but with poorer regioselectivity.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Brevibacterium Role: CAT (Catalyst Use), USES (Uses). 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

Liu, Miao; Luo, Zhao-Xiang; Li, Tian; Xiong, De-Cai; Ye, Xin-Shan published the artcile< Electrochemical Trifluoromethylation of Glycals>, Name: (2R,3R,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate, the main research area is protective group fluoromethylation glycal catalyst electrochem redox.

Carbohydrates play essential roles in various physiol. and pathol. processes. Trifluoromethylated compounds have wide applications in the field of medicinal chem. Herein, we report a practical and efficient trifluoromethylation of glycals by an electrochem. approach using CF3SO2Na as the trifluoromethyl source and MnBr2 as the redox mediator. A variety of trifluoromethylated glycals bearing different protective groups are obtained in 60-90% yields with high regioselectivity. The successful capture of a CF3 radical indicates that a radical mechanism is involved in this reaction.

Journal of Organic Chemistry published new progress about Glycals Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 4098-06-0 belongs to class esters-buliding-blocks, and the molecular formula is C12H16O7, Name: (2R,3R,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate.

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

Dutta, A. K.; Ryan, W.; Thomas, B. F.; Singer, M.; Compton, D. R.; Martin, B. R.; Razdan, R. K. published the artcile< Synthesis, pharmacology, and molecular modeling of novel 4-alkyloxy indole derivatives related to cannabimimetic aminoalkyl indoles (AAIs)>, COA of Formula: C19H34O2, the main research area is alkyloxy indole derivative preparation cannabimimetic structure.

Several novel 4-alkyloxy-aminoalkyl indole derivatives I (R = H, alkyl or alkylnaphthyl) were synthesized from 4-benzyloxyindole. Alkylation of 4-benzyloxyindole with 4-(2-chloroethyl)morpholine (NaH/HMPA) formed 4-benzyloxy-1-[2-(4-morpholinyl)ethyl]-1H-indole. Deprotection using palladium hydroxide on carbon/hydrogen followed by alkylation with the appropriate alkyl bromide gave the target compounds In the synthesis of two of the derivatives, the appropriate alkyl bromides were prepared from the com. available 1-naphthylethyl bromide using the chain lengthening sequences. In receptor binding assay and in vivo testing, the long chain alkoxy compounds (Ki = 127 nM) showed affinity for the CB1 receptor which was approx. 16-35-fold less than that of WIN 55,225. However, the pharmacol. profile of one of the derivatives mimics that of WIN 55,212. An examination of the SAR of these analogs shows that translocating the naphthyl group in AAIs from the C-3 position to C-4 via an oxygen (ether linkage) decreases activity which is in contrast to previous findings that a naphthylcarbonyl at C-4 retains activity. The present work points to the importance of the role of a keto group in the interaction with the receptor. Mol. modeling work suggests that, although reasonable superposition of key structural features between Δ9-THC and AAIs can be made, the overlay is not straightforward. The present study also illustrates the difficulty in accommodating AAIs into the cannabinoid pharmacophore and it seems likely that a unique pharmacophore will need to be developed. Only then will the similarities to and differences from the classical cannabinoid pharmacophore be clearly delineated.

Bioorganic & Medicinal Chemistry published new progress about Cannabinoid receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Joshi, Balawant S.; Viswanathan, Narayanan; Gawad, Dilip H.; Von Philipsborn, Wolfgang published the artcile< Carbon-13 NMR spectroscopy. 7. Piperaceae alkaloids. I. Structure of piperstachine. Carbon-13 and proton NMR studies>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Piper alkaloid piperstachine; NMR piperstachine; piperstachine structure; hexahydropiperstachine.

The structure of piperstachine (I), a new alkaloid from the stem of Piper trichostachyon C. DC, was determined based on its spectral data and the synthesis of hexahydropiperstachine (II).

Helvetica Chimica Acta published new progress about Alkaloids Role: PRP (Properties). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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