Month: October 2022

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

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

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

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

Baltina, Lidia; Sapozhnikova, Tatyana; Makara, Nina; Gabdrakhmanova, Svetlana; Baltina, Lia; Kondratenko, Rimma published the artcile< Paeoniflorin benzoates: synthesis and influence on learning and memory of aged rats in the passive avoidance task>, Application In Synthesis of 112-63-0, the main research area is paeoniflorin benzoate preparation learning memory age Alzheimer’s; Paeoniflorin; benzoates; passive avoidance task; rats.

Paeoniflorin per-O-benzoates with the preserved pinane structure and rearranged aglycon , containing C4 = O function, were obtained and their influence on learning and memory of aged rats was studied in the passive avoidance task. It was found that the chem. modification of paeoniflorin affected the cognitive functions of aged rats. The introduction of C4 = O function into the pinane part of benzoate led to the improvement in learning process and preservation of the memory trace in aged rats as compared to the natural glycoside. This compound can be considered as the promising for further studies on in vivo models of disorders characteristic for Alzheimer’s disease.

Natural Product Research published new progress about Aging, animal. 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

Koenig, W. A. published the artcile< Collection of enantiomeric separation factors obtained by capillary gas chromatography on chiral stationary phases>, Category: esters-buliding-blocks, the main research area is capillary gas chromatog enantiomer separation factor; cyclodextrin chiral derivative gas chromatog resolution.

Capillary gas chromatog. enantiomeric separation factors, column length, and temperature are tabulated for 295 racemates on the chiral stationary phase octakis(3-O-butyryl-2,6-di-O-pentyl)-γ-cyclodextrin (Lipodex E). The major classes of compounds included: alcs., ketones, carboxylic acids, lactones, hydroxy carboxylic acids, amino acids, and sulfoxides. The racemates were chromatographed either in underivatized form, trifluoroacetates or acetates (many alcs.), Me or Et esters (many carboxylic acids), N-trifluoroacetyl derivatives (amino acids), N-alkoxycarbonyl derivatives (histidine), or containing a combination of these derivatizing groups.

Journal of High Resolution Chromatography published new progress about Alcohols Role: PUR (Purification or Recovery), RCT (Reactant), PREP (Preparation), RACT (Reactant or Reagent). 73349-07-2 belongs to class esters-buliding-blocks, and the molecular formula is C5H10O3, Category: esters-buliding-blocks.

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

Cordoba, Ruben; Tormo, Nelida Salvador; Medarde, Antonio Fernandez; Plumet, Joaquin published the artcile< Antiangiogenic versus cytotoxic activity in analogues of aeroplysinin-1>, HPLC of Formula: 112-63-0, the main research area is angiogenesis inhibitor cytotoxic preparation aeroplysinin analog structure.

A series of analogs of the potentially angiogenic inhibitor aeroplysinin-1 1 were synthesized and their in vitro antiangiogenic and cytotoxic activities evaluated. In the case of epoxy ketone 6 and azlactone 36 the relationship sprouting inhibition assay/cytotoxicity in BAE cells was enhanced by one order and two orders of magnitude, resp., with respect to the reference These results imply more specific antiangiogenic properties for the synthesized derivatives

Bioorganic & Medicinal Chemistry published new progress about Antiangiogenic agents. 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

Reeves, W. Preston; King, Rufus M. II published the artcile< A convenient method for bromination of aromatic amines>, SDS of cas: 112-63-0, the main research area is bromination aromatic amine pyridinium hydrobromide perbromide.

Pyridinium hybrobromide perbromide (I) has been used to monobrominate aromatic amines. The monobromo compounds are obtained in good yield and with only small amounts of polybromination products. Thus, aniline was treated with I in THF to give 4-bromoaniline in 84% yield.

Synthetic Communications published new progress about Aromatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Olivato, Paulo R.; Gomes, Roberto da Silva; Rodrigues, Alessandro; Reis, Adriana K. C. A.; Domingues, Nelson L. C.; Rittner, Roberto; Dal Colle, Maurizio published the artcile< Conformational preferences for some 2-substituted N-methoxy-N-methylacetamides through spectroscopic and theoretical studies>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is conformer substituted methoxymethylacetamide stabilization IR DFT B3LYP NBO.

The anal. of the IR carbonyl band of the 2-substituted N-methoxy-N-methylacetamides Y-CH2C(O)N(OMe)Me (Y = F for compound 1, OMe for compound 2, OPh for compound 3, Cl for compound 4), supported by B3LYP/6-311++G(3df, 3pd) calculations along with the NBO anal. for compounds 1-4, indicated the existence of cis-gauche conformers i.e. (c) and (g) for 1 and 3, (c1, c2) and (g1, g2) for 2, and (c) and (g1, g2) for 4. In the gas phase, the g conformer population prevails over the c one, for 1 and 3, the (c1 + c2) population prevails over the (g1 + g2) one for 2, and the (g1 + g2) conformer population is more abundant than (c) one for 4. In n-hexane solution, the cis conformer is more abundant for 1-3. The occurrence of Fermi resonance in the ν CO region, in n-hexane, precludes the estimative of relative populations of the (c, g1, g2) conformers for 4. The SCI-PCM calculations agree with the solvent effect on the ν CO band component relative intensities for 1-3. NBO anal. showed that the nN → πCO* orbital interaction is the main factor which stabilizes the gauche (g, g1, g2) conformers for 1-4 into a larger extent relative to the cis (c, c1, c2) ones. The nY → πCO*, σC-Y → πCO*, πCO → σC-Y* and πCO* → σC-Y* orbital interactions still contribute, but into a minor extent for the stabilization of the gauche conformers relative to the cis ones. The existence of some pyramidalization at the nitrogen atom of the Weinreb amides 1-4 is responsible for the occurrence of Yδ-(4)···Oδ-(9) and Yδ-(4)···Nδ-(7) short contacts in the gauche (g, g1, g2) conformers, which originates strong repulsive Coulombic interactions, acting in opposition to the large orbital stabilization of the gauche conformer with respect to the cis one. Therefore, a delicate balance of the Coulombic and orbital interactions seems to be responsible for the observed stabilization of the gauche (g, g1, g2) and cis (c, c1, c2) conformers, both in the gas phase and in the solution for 1-4. However, the cis conformer predominance, in non polar solvents, for the 2-substituted N-methoxy-N-Me acetamides 1-3, bearing in α first raw (fluorine and oxygen) atoms, is in the opposite direction to the gauche conformer preference for the corresponding 2-substituted N,N-dialkyl-acetamides.

Journal of Molecular Structure published new progress about Bond angle, dihedral. 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

Shibata, Norio; Ishimaru, Takehisa; Nakamura, Mai; Toru, Takeshi published the artcile< 20-Deoxy-20-fluorocamptothecin: Design and synthesis of camptothecin isostere>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is fluorocamptothecin asym synthesis stereoselective fluorination Cinchona alkaloid catalyst; stereoselective electrophilic fluorination deoxycamptothecin Cinchona alkaloid catalyst.

(±)-20-Deoxy-20-fluorocamptothecin (I) was synthesized as an isosteric analog of camptothecin. The use of Selectfluor or N-fluorobenzenesulfonimide and Cinchona alkaloid catalysts for the electrophilic fluorination of (±)-20-deoxycamptothecin (II) yields the target compound Enantioselective fluorination of II was also achieved using previously described Cinchona alkaloids/Selectfluor combination to provide both enantiomers of I with 88% ee and 81% ee, resp.

Synlett published new progress about Cinchona alkaloids Role: CAT (Catalyst Use), USES (Uses). 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