Month: October 2022

Knight, Steven D.; Adams, Nicholas D.; Burgess, Joelle L.; Chaudhari, Amita M.; Darcy, Michael G.; Donatelli, Carla A.; Luengo, Juan I.; Newlander, Ken A.; Parrish, Cynthia A.; Ridgers, Lance H.; Sarpong, Martha A.; Schmidt, Stanley J.; Van Aller, Glenn S.; Carson, Jeffrey D.; Diamond, Melody A.; Elkins, Patricia A.; Gardiner, Christine M.; Garver, Eric; Gilbert, Seth A.; Gontarek, Richard R.; Jackson, Jeffrey R.; Kershner, Kevin L.; Luo, Lusong; Raha, Kaushik; Sherk, Christian S.; Sung, Chiu-Mei; Sutton, David; Tummino, Peter J.; Wegrzyn, Ronald J.; Auger, Kurt R.; Dhanak, Dashyant published the artcile< Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin>, Formula: C19H34O2, the main research area is cancer PI3K inhibitor antitumor agent quinoline derivative SAR preparation; GSK2126458; PI3K/AKT pathway; mammalian target of rapamycin; phosphoinositide 3-kinase α.

Phosphoinositide 3-kinase α (PI3Kα) is a critical regulator of cell growth and transformation, and its signaling pathway is the most commonly mutated pathway in human cancers. The mammalian target of rapamycin (mTOR), a class IV PI3K protein kinase, is also a central regulator of cell growth, and mTOR inhibitors are believed to augment the antiproliferative efficacy of PI3K/AKT pathway inhibition. 2,4-Difluoro-N-{2-(methyloxy)-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide (GSK2126458, 1 (I)) has been identified as a highly potent, orally bioavailable inhibitor of PI3Kα and mTOR with in vivo activity in both pharmacodynamic and tumor growth efficacy models. Compound 1 is currently being evaluated in human clin. trials for the treatment of cancer.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 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

Hu, Jingyan; Ji, Xiaoming; Hao, Shuai; Zhao, Mingqin; Lai, Miao; Ren, Tianbao; Xi, Gaolei; Wang, Erbin; Wang, Juanjuan; Wu, Zhiyong published the artcile< Regioselective C-H sulfenylation of N-sulfonyl protected 7-azaindoles promoted by TBAI: a rapid synthesis of 3-thio-7-azaindoles>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is thioazaindole regioselective preparation; chloride sulfonyl protected azaindole TBAI CH sulfenylation.

This paper described the synthesis of 3-thio-7-azaindoles I [R1 = H, 2-Me, 5-Cl, 5-Br, 2-I; R2 = Ph, 4-FC6H4, 4-MeC6H4, etc.] via regioselective C-3 sulfenylation of N-sulfonyl protected 7-azaindoles with sulfonyl chlorides. In this transformation, dual roles of TBAI served as both promoter and desulfonylation reagent was demonstrated. The reaction proceeded smoothly under simple conditions to afford 3-thio-7-azaindoles I in moderate to good yields with broad substrate scopes. This protocol refrained from the use of transition-metal catalysts, strong oxidants or bases and showed its practical synthetic value in organic synthesis.

RSC Advances published new progress about Arenesulfonyl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Wen, Zhe; Ma, Zewei; Mai, Fuhang; Yan, Fei; Yu, Linhao; Jin, Meng; Sang, Yushuai; Bai, Yunfei; Cui, Kai; Wu, Kai; Chen, Mengmeng; Chen, Hong; Li, Yongdan published the artcile< Catalytic ethanolysis of microcrystalline cellulose over a sulfonated hydrothermal carbon catalyst>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is catalytic ethanolysis microcrystalline cellulose sulfonated hydrothermal carbon catalyst.

The catalytic ethanolysis of microcrystalline cellulose in supercritical ethanol is examined over a sulfonated hydrothermal carbon catalyst (SHTC). SHTC is amorphous carbon containing -OH, -COOH and -SO3H groups with total acidity of 7.15 mmol/g and -SO3H acidity of 1.72 mmol/g. SHTC shows high catalytic activity towards the ethanolysis of cellulose in supercritical ethanol. Complete conversion of microcrystalline cellulose with high yields of Et levulinate and Et glucoside is obtained. The reaction temperature, time and catalyst amount have significant effects on the catalytic performances of SHTC. Appropriate reaction time and less catalyst amount are favorable for the production of Et glucoside, while prolonged reaction time and appropriate catalyst amount favor the production of Et levulinate. The highest yield of Et glucoside as 420.9 mg/g cellulose is obtained over 0.1 g SHTC at 245°C for 1 h. The highest yield of Et levulinate as 817.6 mg/g cellulose is achieved over 0.3 g SHTC at 245°C for 1 h. SHTC shows good stability in the recycle experiments with slight loss of catalytic activity.

Catalysis Today published new progress about Ethanolysis. 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

Zhang, Ding-Li; Hu, Yi-Kao; Wang, Ji-Hua; Zhao, Yan; Huang, Yu-Ping; Zeng, Gui-Jun; Zhao, Yong published the artcile< A New Monoterpenoid Glycoside from Syzygium fluviatile>, Synthetic Route of 112-63-0, the main research area is Syzygium Fluviaterpenoside monoterpenoid glycoside.

A new monoterpenoid glycoside, together with seven known aliphatic acid derivatives, was isolated from the twigs and leaves of Syzygium fluviatile. Their structures were elucidated by means of NMR and HR-ESI-MS data and comparison with the reported values. This is the first example of a monoterpenoid glycoside from Syzygium plants.

Chemistry of Natural Compounds published new progress about Leaf. 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

Marsault, Eric; Hoveyda, Hamid R.; Peterson, Mark L.; Saint-Louis, Carl; Landry, Annick; Vezina, Martin; Ouellet, Luc; Wang, Zhigang; Ramaseshan, Mahesh; Beaubien, Sylvie; Benakli, Kamel; Beauchemin, Sophie; Deziel, Robert; Peeters, Theo; Fraser, Graeme L. published the artcile< Discovery of a New Class of Macrocyclic Antagonists to the Human Motilin Receptor>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is macrocyclic peptidomimetic preparation antagonist SAR human motilin receptor.

A novel class of macrocyclic peptidomimetics was identified and optimized as potent antagonists to the human motilin receptor (hMOT-R). Well-defined structure-activity relationships allowed for rapid optimization of potency that eventually led to high affinity antagonists to hMOT-R. Potency and antagonist functional activity were confirmed both in functional and cell-based assays, as well as on isolated rabbit intestinal smooth muscle strips. Rapid access to this novel class of macrocyclic target structures was made possible through two efficient and complementary solid-phase parallel synthetic approaches, both of which are reported herein.

Journal of Medicinal Chemistry published new progress about Amino acids Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Yu, Hanwen; Sun, Han; Wang, Kang; Liang, Xiao; Ding, Yang; Chang, Xiangwei; Guo, Jian; Peng, Daiyin; Gui, Shuang ying published the artcile< Study of the therapeutic effects of Painong powder on ulcerative colitis and the role of Platycodonis Radix in the prescription based on pharmacodynamic, pharmacokinetic, and tissue distribution analyses>, Computed Properties of 112-63-0, the main research area is painong antiinflammatory agent pharmacodynamics pharmacokinetics ulcerative colitis; Painong powder; Pharmacodynamics; Pharmacokinetics; Platycodonis radix; Tissue distribution.

Herbal formulas have unique efficacy and are of great significance to the theory and practice of Chinese medicine and are therefore gaining increasing attention in research. Painong powder (PNS), composed of Aurantii fructus immaturus (Zhishi in Chinese, ZS), Paeoniae Radix Alba (Baishao in Chinese, BS), and Platycodonis Radix (Jiegeng in Chinese, JG), has remarkable effects on the detoxification and discharge of pus. JG is traditionally used to treat pulmonary carbuncles and is considered a medicinal guide . According to the composition theory of prescriptions, JG is an assistant and guide medicine. The role of JG as an adjuvant has gained increasing attention. The study was designed to prove the efficacy of PNS in ulcerative colitis (UC) and to study the role of JG in PNS via pharmacodynamic, pharmacokinetic, and tissue distribution analyses. For the pharmacodynamic study, the UC rat model was induced using 5% trinitrobenzene sulfonic acid (TNBS). The results of the macroscopic characterization, histol. anal., and cytokine levels, including those of tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), interleukin-6 (IL-6), and nuclear factor-kappa B (NF-κB), were integrated to evaluate the treatment of UC with PNS. In addition, an LC-MS/MS method was established and validated to analyze the blood pharmacokinetic parameters and tissue distribution of naringin and paeoniflorin. After the administration of high-dose PNS, the UC rats showed amelioration of macroscopic damage at the lesion site. The cytokine levels in the plasma, colon, and lung tissues were also decreased. The pharmacokinetic parameters showed that compared with UC rats administered with PNS-JG, those administered with PNS showed an increase in the AUC, MRT, and Tmax of naringin and paeoniflorin, and a decrease in their clearance rate. Furthermore, naringin and paeoniflorin had higher concentrations in the colon and lung tissues in the normal and model groups administered with PNS than in those administered with PNS-JG. PNS was shown to have marked therapeutic efficacy against TNBS-induced UC in rats. The effect of JG in PNS was reflected by the differences in the pharmacokinetic parameters and tissue distribution of the active components, providing valuable information for the clin. application of PNS in the treatment of UC. However, knowledge about how JG works as an adjuvant medicine in PNS is still lacking.

Journal of Ethnopharmacology published new progress about Anti-inflammatory agents. 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

Irie, Takayuki; Asami, Tokiko; Sawa, Ayako; Uno, Yuko; Hanada, Mitsuharu; Taniyama, Chika; Funakoshi, Yoko; Masai, Hisao; Sawa, Masaaki published the artcile< Discovery of novel furanone derivatives as potent Cdc7 kinase inhibitors>, SDS of cas: 112-63-0, the main research area is anticancer Cdc7 kinase inhibition furanone; mol modeling anticancer Cdc7 kinase inhibition furanone; furanone preparation human anticancer Cdc7 kinase inhibition mol binding; Anticancer activity; Apoptosis; Cell cycle; Furanone; Kinase inhibitors; Slow binding.

Cdc7 is a serine-threonine kinase and plays a conserved and important role in DNA replication, and it has been recognized as a potential anticancer target. Herein, we report the design, synthesis and structure-activity relationship of novel furanone derivatives as Cdc7 kinase inhibitors. Compound I was identified as a strong inhibitor of Cdc7 with an IC50 value of 0.6 nM in the presence of 1 mM ATP and showed excellent kinase selectivity. In addition, it exhibited slow off-rate characteristics, which may offer advantages over known Cdc7 inhibitors in its potential to yield prolonged inhibitory effects in vivo. Compound I potently inhibited Cdc7 activity in cancer cells, and effectively induced cell death.

European Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 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

Larsen, Rolf Olaf; Aksnes, Gunnar published the artcile< Kinetic study of the Horner reaction. I>, Formula: C19H34O2, the main research area is Horner reaction phosphonate benzaldehyde kinetics; LFER Horner reaction.

The rates of the Horner-reaction of 5 phosphonates (EtO)2P(O)CH2R (R = CO2Et, CN, p-O2NC6H4) and I (Q = CH2CH2, CHMe) with NaOEt and various p- and m-substituted benzaldehydes, and ethanol as solvent, are reported. The kinetics of the reactions are overall third order, first order in phosphonate, ethoxide, and aldehyde, resp. The reaction is accelerated by electron-withdrawing substituents in the benzaldehyde, giving a reaction constant, ρ, of ∼+2.0. The 5-membered cyclic phosphonate reacts ∼20 times faster than its acyclic analog. The rate difference is attributed to a considerable release in ring strain upon passing from the tetrahedral to the pentacoordinate state in the intermediate of the cyclic phosphonate.

Phosphorus and Sulfur and the Related Elements published new progress about Linear free energy relationship. 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

Morinaga, Hisatoyo; Sawatani, Takeru published the artcile< Metal- and halogen-free one-pot synthesis of functional oligomers by tetra-n-butylammonium acetate/alcohol system>, Quality Control of 112-63-0, the main research area is tertiary butylammonium acetate initiator glycidyl phenyl ether oligomer.

In this study, ring-opening polymerization of glycidyl Ph ether (GPE) is performed using tetra-n-butylammonium acetate (n-Bu4NOAc) as a metal- and halogen-free initiator. Various alcs. are used as chain transfer agents (CTAs), of which ethanol yields oligo-GPE with a controlled number-average mol. weight (Mn) of relatively narrow polydispersity (Mw/Mn = 1.27-1.33). This polymerization system facilely affords various functional oligomers, including amphiphilic block copolymer, reactive oligomer, and branched oligomer from poly(ethylene glycol) Me ether, allyl alc., and polyhydric alc. as the resp. CTAs. The terminal chain structures are confirmed via NMR and MALDI-TOF MS anal.

Polymer Bulletin (Heidelberg, Germany) published new progress about Chain transfer 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

Mori, Daisuke; Kimura, Hiroyuki; Kawashima, Hidekazu; Yagi, Yusuke; Arimitsu, Kenji; Ono, Masahiro; Saji, Hideo published the artcile< Development of 99mTc radiolabeled A85380 derivatives targeting cerebral nicotinic acetylcholine receptor: Novel radiopharmaceutical ligand 99mTc-A-YN-IDA-C4>, Reference of 39987-25-2, the main research area is technetium 99m A85380 derivative preparation cerebral nicotinic receptor; A85380 derivatives; Docking simulation; Nicotinic acetylcholine receptors; Single-photon emission computed tomography; Technetium-99m.

Nicotinic acetylcholine receptors (nAChRs) are pentameric ligand-gated ion channels that have been implicated in higher brain functions. To elucidate the functional mechanisms underlying nAChRs and contribute significantly to development of drugs targeting neurol. and neuropsychiatric diseases, non-invasive nuclear medical imaging can be used for evaluation. In addition, technetium-99m (99mTc) is a versatile radionuclide used clin. as a tracer in single-photon emission computed tomog. Because A85380 is known as a potent α4β2-nAChR agonist, we prepared A85380 derivatives labeled with 99mTc using a bifunctional chelate system. A computational scientific approach was used to design the probe efficiently. We used non-radioactive rhenium (Re) for a 99mTc analog and found that one of the derivatives, Re-A-YN-IDA-C4, exhibited high binding affinity at α4β2-nAChR in both the docking simulation (-19.3 kcal/mol) and binding assay (Ki = 0.4 ± 0.04 nM). Further, 99mTc-A-YN-IDA-C4 was synthesized using microwaves, and its properties were examined Consequently, we found that 99mTc-A-YN-IDA-C4, with a structure optimized by using computational chem. techniques, maintained affinity and selectivity for nAChR in vitro and possessed efficient characteristics as a nuclear medicine mol. imaging probe, demonstrated usefulness of computational scientific approach for mol. improvement strategy.

Bioorganic & Medicinal Chemistry published new progress about Brain. 39987-25-2 belongs to class esters-buliding-blocks, and the molecular formula is C6H12ClNO4, Reference of 39987-25-2.

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