Category: 329214-79-1

Shirazi, Seyed Mohammad Hossein; Mokhtari, Javad; Mirjafary, Zohreh published the artcile< A new method for the synthesis of abiraterone drug catalyzed by Pd-NPs@Zn-MOF as efficient reusable catalyst>, Related Products of 329214-79-1, the main research area is abiraterone palladium nanoparticle heterogeneous catalyst Suzuki Miyaura.

The present work provides a novel process for the preparation of abiraterone drug in a Suzuki-Miyaura coupling approach by a new heterogeneous palladium catalyst, Pd-NPs@Zn-MOF, which has been synthesized by one-step encapsulation in nanoporous metal-organic framework Zn-MOF under a temperature control program for the first time. Pd-NPs@Zn-MOF were characterized by transmission electron microscopy (TEM), X-Ray powder diffraction (XRD), BET surface area anal., inductively coupled plasma (ICP)-optical emission spectrometry (OES), and XPS.

Applied Organometallic Chemistry published new progress about Emission spectroscopy. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Related Products of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hou, Shaohua; Yang, Xiping; Yang, Yuejing; Tong, Yu; Chen, Quanwei; Wan, Boheng; Wei, Ran; Lu, Tao; Chen, Yadong; Hu, Qinghua published the artcile< Design, synthesis and biological evaluation of 1H-indazole derivatives as novel ASK1 inhibitors>, COA of Formula: C11H16BNO2, the main research area is aryl indazole preparation ASK inhibition mol docking SAR; 1H-indazole derivatives; ASK1 inhibitor; Inflammatory bowel disease.

A series of novel ASK1 inhibitors, e.g., I and II with 1H-indazole scaffold were designed, synthesized and evaluated for their ASK1 kinase activity and AP1-HEK293 cell inhibitory effect. Systematic structure-activity relationship (SAR) efforts led to the discovery of promising compound II, which showed excellent in vitro ASK1 kinase activity and potent inhibitory effects on ASK1 in AP1-HEK293 cells. In a tumor necrosis factor-α (TNF-α)-induced HT-29 intestinal epithelial cell model, compound II exhibited a significantly protective effect on cell viability comparable to that of GS-4997; moreover, compound II exhibited no obvious cytotoxicity against HT-29 cells at concentrations up to 25μM. Mechanistic research demonstrated that compound II suppressed phosphorylation in the ASK1-p38/JNK signaling pathway in HT-29 cells and regulated the expression levels of apoptosis-related proteins. Altogether, these results showed that compound II may serve as a potential candidate compound for the treatment of inflammatory bowel disease (IBD).

European Journal of Medicinal Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, COA of Formula: C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tierno, Anthony F.; Walters, Jennifer C.; Vazquez-Lopez, Andres; Xiao, Xiao; Wengryniuk, Sarah E. published the artcile< Heterocyclic group transfer reactions with I(III) N-HVI reagents: access to N-alkyl(heteroaryl)onium salts via olefin aminolactonization>, Formula: C11H16BNO2, the main research area is alkylheteroarylonium salt preparation; alkenoic acid heterocycle aminolactonization.

Herein, leverage (bis)cationic nitrogen-ligated I(III) hypervalent iodine reagents, or N-HVIs, as “”heterocyclic group transfer reagents”” to provide access to a broad scope of N-alkyl(heteroaryl)onium salts e.g., I via the aminolactonization of alkenoic acids e.g., 2,2-diphenylpent-4-enoic acid, the first example of engaging an olefin to directly generate these salts. The reactions proceed in excellent yields, under mild conditions, and are capable of incorporating a broad scope of sterically and electronically diverse aromatic heterocycles such as pyridine, 4-piperidinylpyridine, 1-methylimidazole, etc.. The N-HVI reagents can be generated in situ, the products are isolated via simple trituration, and subsequent derivatizations demonstrate the power of this platform for diversity-oriented synthesis of 6-membered nitrogen heterocycles e.g., I.

Chemical Science published new progress about Amination. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Formula: C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Szlavik, Zoltan; Csekei, Marton; Paczal, Attila; Szabo, Zoltan B.; Sipos, Szabolcs; Radics, Gabor; Proszenyak, Agnes; Balint, Balazs; Murray, James; Davidson, James; Chen, Ijen; Dokurno, Pawel; Surgenor, Allan E.; Daniels, Zoe Marie; Hubbard, Roderick E.; Le Toumelin-Braizat, Gaetane; Claperon, Audrey; Lysiak-Auvity, Gaelle; Girard, Anne-Marie; Bruno, Alain; Chanrion, Maia; Colland, Frederic; Maragno, Ana-Leticia; Demarles, Didier; Geneste, Olivier; Kotschy, Andras published the artcile< Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor>, Category: pyridine-derivatives, the main research area is S64315 discovery Mcl1 inhibitor anticancer.

Myeloid cell leukemia 1 (Mcl-1) has emerged as an attractive target for cancer therapy. It is an antiapoptotic member of the Bcl-2 family of proteins, whose upregulation in human cancers is associated with high tumor grade, poor survival, and resistance to chemotherapy. Here we report the discovery of our clin. candidate S64315, a selective small mol. inhibitor of Mcl-1. Starting from a fragment derived lead compound, we have conducted structure guided optimization that has led to a significant (3 log) improvement of target affinity as well as cellular potency. The presence of hindered rotation along a biaryl axis has conferred high selectivity to the compounds against other members of the Bcl-2 family. During optimization, we have also established predictive PD markers of Mcl-1 inhibition and achieved both efficient in vitro cell killing and tumor regression in Mcl-1 dependent cancer models. The preclin. candidate has drug-like properties that have enabled its development and entry into clin. trials.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Remya, Chandran; Dileep, K. V.; Koti Reddy, Eeda; Mantosh, Kumar; Lakshmi, Kesavan; Sarah Jacob, Reena; Sajith, Ayyiliyath M.; Jayadevi Variyar, E.; Anwar, Shaik; Zhang, Kam Y. J.; Sadasivan, C.; Omkumar, R. V. published the artcile< Neuroprotective derivatives of tacrine that target NMDA receptor and acetyl cholinesterase - Design, synthesis and biological evaluation>, SDS of cas: 329214-79-1, the main research area is aminotetrahydroacridine preparation NMDA receptor antagonist cholinesterase inhibition SAR docking; AChE, acetylcholinesterase; AChEIs, acetylcholinesterase inhibitors; AChT, acetylthiocholine; AD, Alzheimer’s disease; ADME, absorption, distribution, metabolism and excretion; Acetylcholinesterase; Alzheimer’s disease; BBB, blood brain barrier; Ca2+, calcium; ChE, Cholinesterases; DMEM, Dulbecco’s modified Eagle’s medium; DTNB, 5,5-dithiobis-(2-nitrobenzoic acid); ENM, elastic network modeling; ER, endoplasmic reticulum; FRET, fluorescence resonance energy transfer; G6PD, glucose-6-phosphate dehydrogenase; HBSS, Hank’s balanced salt solution; IP, intraperitoneal; LBD, Ligand binding domain; LC-MS, Liquid chromatography-mass spectrometry; LiCABEDS, Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps; MAP2, microtubule associated protein 2; MD, Molecular dynamics; MTDLs; MTDLs, multi-target directed ligands; MWM, Morris water maze; NBM, neurobasal medium; NMA, normal mode analysis; NMDA receptor; NMDAR, N-methyl-D-aspartate receptor; Neuroprotection; OPLS, Optimized potential for liquid simulations; PBS, phosphate-buffered saline; PFA, paraformaldehyde; Polypharmacology; RMSD, root mean square deviation; SAR, structure-activity relationships; SD, standard deviation; SVM, support vector machine; Structure-based drug design; TBI, traumatic brain injury; TMD, transmembrane domain; Tacrine; h-NMDAR, human NMDAR; hAChE, human AChE; ppm, parts per million.

An novel high affinity multi-target directed ligands (MTDLs) against AChE and NMDAR, with reduced hepatotoxicity, performed in-silico structure-based modifications on tacrine, chem. synthesis of the derivatives and in-vitro validation of their activities. Nineteen such derivatives I [R = H, methylcarbamoyl, hydrazinecarbonyl, ethoxycarbonyl; R1 = 2-furanyl, 1-methylpyrazol-4-yl, 2-FC6H4, etc.] showed inhibition with IC50 values in the range of 18.53 ± 2.09 – 184.09 ± 19.23 nM against AChE and 0.27 ± 0.05 – 38.84 ± 9.64μM against NMDAR. Some of the selected compounds protected rat primary cortical neurons from glutamate induced excitotoxicity. Two of the tacrine derived MTDLs, I [R = H, R1 = 1-methylpyrazol-4-yl; R = H, R1 = 2-FC6H4] exhibited in-vivo efficacy in rats by protecting against behavioral impairment induced by administration of the excitotoxic agent, monosodium glutamate. Addnl., several of these synthesized compounds also exhibited promising inhibitory activitiy against butyrylcholinesterase. MTDL-201 I [R = H, R1 = 1-methylpyrazol-4-yl] was also devoid of hepatotoxicity in-vivo. Given the therapeutic potential of MTDLs in disease-modifying therapy, studies revealed several promising MTDLs among which I [R = H, R1 = 1-methylpyrazol-4-yl] appeared to be a potential candidate for immediate preclin. evaluations.

Computational and Structural Biotechnology Journal published new progress about Aminoacridines Role: PAC (Pharmacological Activity), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, SDS of cas: 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Degorce, Sebastien L.; Aagaard, Anna; Anjum, Rana; Cumming, Iain A.; Diene, Coura R.; Fallan, Charlene; Johnson, Tony; Leuchowius, Karl-Johan; Orton, Alexandra L.; Pearson, Stuart; Robb, Graeme R.; Rosen, Alan; Scarfe, Graeme B.; Scott, James S.; Smith, James M.; Steward, Oliver R.; Terstiege, Ina; Tucker, Michael J.; Turner, Paul; Wilkinson, Stephen D.; Wrigley, Gail L.; Xue, Yafeng published the artcile< Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors>, Electric Literature of 329214-79-1, the main research area is preparation azaquinazoline derivative IRAK4 inhibitor pharmacokinetics; 5-Azaquinazoline; Aldehyde oxidase; DLBCL; IRAK4.

In this article, we report our efforts towards improving in vitro human clearance in a series of 5-azaquinazolines through a series of C4 truncations and C2 expansions. Extensive DMPK studies enabled us to tackle high Aldehyde Oxidase (AO) metabolism and unexpected discrepancies in human hepatocyte and liver microsomal intrinsic clearance. Our efforts culminated with the discovery of 5-azaquinazoline I, which also displayed exquisite selectivity for IRAK4, and showed synergistic in vitro activity against MyD88/CD79 double mutant ABC-DLBCL in combination with the covalent BTK inhibitor acalabrutinib.

Bioorganic & Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Electric Literature of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Tkachuk, Viktor M.; Lukianov, Oleh O.; Vovk, Mykhailo V.; Gillaizeau, Isabelle; Sukach, Volodymyr A. published the artcile< Chan-Evans-Lam N1-(het)arylation and N1-alkenylation of 4-fluoroalkylpyrimidin-2(1H)-ones>, Related Products of 329214-79-1, the main research area is substituted pyrimidone preparation; fluoroalkylpyrimidinone boronic acid arylation alkenylation copper catalyst; alkenylboronic acid pinacol ester fluoroalkylpyrimidinone arylation alkenylation copper catalyst; Chan–Evans–Lam reaction; C–N cross-coupling; boronic acids; fluoroalkyl group; pyrimidin-2(1Н)-ones.

The Chan-Evans-Lam reaction of 1-unsubstituted 4-fluoroalkylpyrimidin-2(1H)-ones with arylboronic acids was reported as a facile synthetic route to hitherto unavailable N1-(het)aryl and N1-alkenyl derivatives of the corresponding pyrimidines I [R = CH=CH2, Ph, 3-thienyl, etc.; R1 = CHF2, CF3, C2F5, CClF2; R2 = H, Br, CO2Me]. An efficient C-N bond-forming process was also observed by using boronic acid pinacol esters as coupling partners in the presence of Cu(II) acetate and boric acid. The 4-fluoroalkyl group on the pyrimidine ring significantly assists in the formation of the target N1-substituted products, in contrast to the 4-Me and 4-unsubstituted substrates which did not undergo N1-arylation under similar reaction conditions.

Beilstein Journal of Organic Chemistry published new progress about Alkenylation. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Related Products of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Oka, Naoki; Yamada, Tsuyoshi; Sajiki, Hironao; Akai, Shuji; Ikawa, Takashi published the artcile< Aryl Boronic Esters Are Stable on Silica Gel and Reactive under Suzuki-Miyaura Coupling Conditions>, Category: pyridine-derivatives, the main research area is aryl boronic ester bromoarene palladium Suzuki Miyaura coupling; biaryl preparation.

A wide range of aryl boronic 1,1,2,2-tetraethylethylene glycol esters [ArB(Epin)s] were readily synthesized. Purifying aryl boronic esters by conventional silica gel chromatog. is generally challenging; however, these introduced derivatives were easily purified on silica gel and isolated in excellent yields. The purified ArB(Epin) was subjected to Suzuki-Miyaura couplings, which provided higher yields of the desired biaryl products than those obtained using the corresponding aryl boronic acids or pinacol esters.

Organic Letters published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kuehn, Laura; Huang, Mingming; Radius, Udo; Marder, Todd B. published the artcile< Copper-catalysed borylation of aryl chlorides>, Recommanded Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, the main research area is catalytic borylation aryl chloride preparation arylboronic acid copper NHC; copper NHC catalyst borylation aryl chloride pinacoldiboronate.

We report herein the first Cu-catalyzed borylation of a wide range of aryl chlorides with different electronic and steric properties using a readily prepared NHC-stabilized Cu catalyst and KOtBu as the base with B2pin2 (pin = pinacolato) as the boron reagent. The aryl chlorides are converted into their corresponding arylboronic esters in good yields. The new procedure shows broad functional group tolerance, and B2neop2 (neop = neopentyl glycolato) can also be applied as the boron reagent.

Organic & Biomolecular Chemistry published new progress about Aryl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Recommanded Product: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sun, Xianwei; Admane, Prasad; Starosolski, Zbigniew A.; Eriksen, Jason L.; Annapragada, Ananth V.; Tanifum, Eric A. published the artcile< 1-Indanone and 1,3-indandione Derivatives as Ligands for Misfolded α-Synuclein Aggregates>, Formula: C11H16BNO2, the main research area is Parkinson Alzheimer disease brain alpha synuclein SAR indandione; α-synuclein flurescent probes; α-synuclein imaging probes; α-synuclein ligands; α-synuclein selective molecules.

The development of imaging agents for in vivo detection of alpha-synuclein (α-syn) pathologies faces several challenges. A major gap in the field is the lack of diverse mol. scaffolds with high affinity and selectivity to α-syn fibrils for in vitro screening assays. Better in vitro scaffolds can instruct the discovery of better in vivo agents. We report the rational design, synthesis, and in vitro evaluation of a series of novel 1-indanone and 1,3-indandione derivatives from a Structure-Activity Relationship (SAR) study centered on some existing α-syn fibril binding ligands. Our results from fibril saturation binding experiments show that two of the lead candidates compounds 8 and 32 bind α-syn fibrils with binding constants (Kd) of 9.0 and 18.8 nM, resp., and selectivity of greater than 10x for α-syn fibrils compared with amyloid-β (Aβ) and tau fibrils. Our results demonstrate that the lead ligands avidly label all forms of α-syn on PD brain tissue sections, but only the dense core of senile plaques in AD brain tissue, resp. These results are corroborated by ligand-antibody colocalization data from Syn211, which shows immunoreactivity toward all forms of α-syn aggregates, and Syn303, which displays preferential reactivity toward mature Lewy pathol. Our results reveal that 1-indanone derivatives have desirable properties for the biol. evaluation of α-synucleinopathies.

ChemMedChem published new progress about Alzheimer disease. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Formula: C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem