Day: October 12, 2022

Johannes, Jeffrey W.; Balazs, Amber; Barratt, Derek; Bista, Michal; Chuba, Matthew D.; Cosulich, Sabina; Critchlow, Susan E.; Degorce, Sebastien L.; Di Fruscia, Paolo; Edmondson, Scott D.; Embrey, Kevin; Fawell, Stephen; Ghosh, Avipsa; Gill, Sonja J.; Gunnarsson, Anders; Hande, Sudhir M.; Heightman, Tom D.; Hemsley, Paul; Illuzzi, Giuditta; Lane, Jordan; Larner, Carrie; Leo, Elisabetta; Liu, Lina; Madin, Andrew; Martin, Scott; McWilliams, Lisa; O′Connor, Mark J.; Orme, Jonathan P.; Pachl, Fiona; Packer, Martin J.; Pei, Xiaohui; Pike, Andrew; Schimpl, Marianne; She, Hongyao; Staniszewska, Anna D.; Talbot, Verity; Underwood, Elizabeth; Varnes, Jeffrey G.; Xue, Lin; Yao, Tieguang; Zhang, Ke; Zhang, Andrew X.; Zheng, Xiaolan published the artcile< Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}-N-methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs>, SDS of cas: 53636-56-9, the main research area is chloroquinazolinone aryl piperazine carboxamide AZD5305 syntesis anticancer PARP1.

Poly-ADP-ribose-polymerase (PARP) inhibitors have achieved regulatory approval in oncol. for homologous recombination repair deficient tumors including BRCA mutation. However, some have failed in combination with first-line chemotherapies, usually due to overlapping hematol. toxicities. Currently approved PARP inhibitors lack selectivity for PARP1 over PARP2 and some other 16 PARP family members, and we hypothesized that this could contribute to toxicity. Recent literature has demonstrated that PARP1 inhibition and PARP1-DNA trapping are key for driving efficacy in a BRCA mutant background. Herein, we describe the structure- and property-based design of AZD5305, I, a potent and selective PARP1 inhibitor and PARP1-DNA trapper with excellent in vivo efficacy in a BRCA mutant HBCx-17 PDX model. Compound 25 is highly selective for PARP1 over other PARP family members, with good secondary pharmacol. and physicochem. properties and excellent pharmacokinetics in preclin. species, with reduced effects on human bone marrow progenitor cells in vitro.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, SDS of cas: 53636-56-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pang, Jia Hao; Kaga, Atsushi; Roediger, Sven; Lin, Min Htoo; Chiba, Shunsuke published the artcile< Revisiting the Chichibabin Reaction: C2 Amination of Pyridines with a NaH-Iodide Composite>, COA of Formula: C10H8N2, the main research area is pyridine preparation Chichibabin.

A NaH-iodide composite was found capable of mediating the Chichibabin amination under mild reaction conditions, allowing efficient access to a range of 2-aminopyridines and their derivatives

Asian Journal of Organic Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, COA of Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Guo, Yu; Wang, Ruo-Ya; Kang, Jia-Xin; Ma, Yan-Na; Xu, Cong-Qiao; Li, Jun; Chen, Xuenian published the artcile< Efficient synthesis of primary and secondary amides via reacting esters with alkali metal amidoboranes>, Formula: C7H7NO2, the main research area is primary secondary amide preparation chemoselective; ester sodium amidoborane amidation.

Authors report here a facile synthesis method of primary and secondary amides through a direct amidation of esters with sodium amidoboranes (NaNHRBH3, R = H, Me), at room temperature without using catalysts and other reagents. This process is rapid and chemoselective, and features quant. conversion and wide applicability for esters tolerating different functional groups. The exptl. and theor. studies reveal a reaction mechanism with nucleophilic addition followed by a swift proton transfer-induced elimination reaction.

Nature Communications published new progress about Amidation. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Haixia; Robl, Jeffrey A.; Hamann, Lawrence G.; Simpkins, Ligaya; Golla, Rajasree; Li, Yi-Xin; Seethala, Ramakrishna; Zvyaga, Tatyana; Gordon, David A.; Li, James J. published the artcile< Generation of 3,8-substituted 1,2,4-triazolopyridines as potent inhibitors of human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1)>, Category: pyridine-derivatives, the main research area is triazolopyridine derivative inhibitor human hydroxysteroid dehydrogenase.

A series of pyridyl amide/sulfonamide inhibitors of 11β-HSD-1 were modified to incorporate a novel 1,2,4-triazolopyridine scaffold. Optimization of substituents at the 3 and 8 position of the TZP core, with a special focus on enhancing metabolic stability, resulted in the identification of compound 38 as a potent and metabolically stable inhibitor of the enzyme.

Bioorganic & Medicinal Chemistry Letters published new progress about Antidiabetic agents. 131747-55-2 belongs to class pyridine-derivatives, and the molecular formula is C6H6FNO, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yang, Wenjun; Chernyshov, Ivan Yu.; van Schendel, Robin K. A.; Weber, Manuela; Mueller, Christian; Filonenko, Georgy A.; Pidko, Evgeny A. published the artcile< Robust and efficient hydrogenation of carbonyl compounds catalysed by mixed donor Mn(I) pincer complexes>, Application In Synthesis of 350-03-8, the main research area is alc preparation; carbonyl compound hydrogenation manganese catalyst.

A highly efficient Mn(I)-CNP pre-catalyst I which gives rise to the excellent productivity (TOF° up to 41 000 h-1) and stability (TON up to 200 000) in hydrogenation catalysis was reported. This system enables near-quant. hydrogenation of ketones RC(O)R1 (R = Ph, 2,3-dihydro-1,4-benzodioxin-6-yl, pentyl, etc.; R1 = Et, Bn, cyclopropyl, etc.; RR1 = -(CH2)5-) and 1,2,3,4-tetrahydronaphthalen-1-one, imines 4-R2C6H4N=CHC6H5 (R2 = H, Br, OMe), aldehydes R3CHO [R3 = Ph, 4-(dimethylamino)phenyl, 4-(benzyloxy)phenyl, furan-2-yl] and formate esters R4OC(O)H (R4 = hexyl, pentyl, 3-methylbutyl) at the catalyst loadings as low as 5-200 p.p.m. The anal. points to the crucial role of the catalyst activation step for the catalytic performance and stability of the system. While conventional activation employing alkoxide bases can ultimately provide catalytically competent species under hydrogen atm., activation of Mn(I) pre-catalyst I with hydride donor promoters, e.g., KHBEt3, dramatically improves catalytic performance of the system and eliminates induction times associated with slow catalyst activation.

Nature Communications published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

De Vos, Arthur; Lejaeghere, Kurt; Muniz Miranda, Francesco; Stevens, Christian V.; Van Der Voort, Pascal; Van Speybroeck, Veronique published the artcile< Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks>, Reference of 366-18-7, the main research area is electronic property heterogenized ruthenium polypyridyl photoredox complex covalent triazine.

Ru(II) polypyridyl complexes have been successful for a wide range of photoredox applications thanks to their efficient light-induced metal-to-ligand charge transfer. Using the computational framework of d.-functional theory, we report how these complexes can be anchored onto covalent triazine frameworks while maintaining their favorable electronic properties. We moreover show that variation of the nitrogen content of the framework linkers or complex ligands endows the heterogenized catalyst with a unique versatility, spanning a wide range of absorption characteristics and redox potentials. By judiciously choosing the catalyst building blocks, it is even possible to selectively guide the charge transfer toward either the scaffold or the accessible pore sites. Rational design of sustainable and efficient photocatalysts thus comes within reach.

Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about Coordination compounds Role: CAT (Catalyst Use), SPN (Synthetic Preparation), TEM (Technical or Engineered Material Use), USES (Uses), PREP (Preparation). 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Reference of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Yanjun; Ye, Ziqi; Lin, Yu-Mei; Liu, Yan; Zhang, Yumeng; Gong, Lei published the artcile< Organophotocatalytic selective deuterodehalogenation of aryl or alkyl chlorides>, Quality Control of 329214-79-1, the main research area is deuterated aryl heteroaryl compound green preparation; aryl chloride alkyl organophotocatalyst selective deuterodehalogenation.

A photocatalytic system consisting of an aryl-amine photocatalyst and a disulfide co-catalyst in the presence of sodium formate as an electron and hydrogen donor was developed. Accordingly, many aryl chlorides, alkyl chlorides, and other halides were converted to deuterated products at room temperature in air (>90 examples, up to 99% D-incorporation). The mechanistic studies revealed that the aryl amine served as reducing photoredox catalyst to initiate cleavage of the C-Cl bond, at the same time as energy transfer catalyst to induce homolysis of the disulfide for consequent deuterium transfer process. This economic and environmentally-friendly method could be used for site-selective D-labeling of a number of bioactive mols. and direct H/D exchange of some drug mols.

Nature Communications published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Quality Control of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chai, Jingchao; Lashgari, Amir; Wang, Xiao; Jiang, Jianbing Jimmy published the artcile< Extending the redox potentials of metal-free anolytes: towards high energy density redox flow batteries>, SDS of cas: 581-47-5, the main research area is phenylpyridine energy density redox flow battery metal free anolyte.

Non-aqueous organic redox flow batteries (NORFBs) have emerged as a promising technol. for renewable energy storage and conversion. High capacity and power d. can be achieved by virtue of high solubility and high operating voltage of the organic anolytes and catholytes in organic media. However, the lack of anolyte materials with high redox potentials and their poor electrochem. stability retard the wider application of NORFBs. Here, we investigated an evolutionary design of a set of bipyridines and their analogs as anolytes and examined their performance in full fl ow batteries. Using combined techniques of repeated voltammetry, lower scan rate cyclic voltammetry, proton NMR, and d. functional theory calculations, we could rapidly evaluate the redox potential, stability, and reversibility of these redox candidates. The promising candidates, 4-pyridylpyridinium bis(trifl uoromethanesulfonyl)imide (monoMebiPy) and 4,4′-bipyridine (4,4′-biPy), were subjected to battery cycling. Extended studies of the post-cycling electrolytes were conducted to analyze the pathway of capacity fading and revealed a reduction-promoted Me group shift mechanism for monoMebiPy. A family of easily accessible anolyte mols. with high redox stability and redox potentials was discovered that can be applied in NORFBs.

Journal of the Electrochemical Society published new progress about Battery electrolytes. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, SDS of cas: 581-47-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rocco, Dalila; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. published the artcile< Switching conformation of 3,2':6',3''-tpy domains in 4'-(4-n-alkyloxyphenyl)-3,2':6',3''-terpyridines>, Recommanded Product: 1-(Pyridin-3-yl)ethanone, the main research area is terpyridine preparation crystal structure conformation; 3,2′:6′,3″-terpyridine; conformation; crystal structure; intermolecular interactions.

The preparation and characterization of 4′-(4-n-octyloxyphenyl)-3,2′:6′,3”-terpyridine (8) and 4′-(4-n-nonyloxyphenyl)-3,2′:6′,3”-terpyridine (9) are reported. The single crystal structures of 4′-(4-n-hexyloxyphenyl)-3,2′:6′,3”-terpyridine (6), 4′-(4-n-heptyloxyphenyl)-3,2′:6′,3”-terpyridine (7), and compounds 8 and 9 have been determined The conformation of the 3,2′:6′,3”-tpy unit is trans,trans in 6 and 7, but switches to cis,trans in 8 and 9. This is associated with significant changes in the packing interactions with a more dominant role for van der Waals interactions between adjacent n-alkyloxy chains and C-Hmethylene··· π interactions in 8 and 9. The solid-state structures of 6 and 7 with the n-hexyloxy and n-heptyloxy chains feature interwoven sheets of supramol. assemblies of mols., with pairs of n-alkyloxy chains threaded through cavities in an adjacent sheet.

Molecules published new progress about Conformation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Recommanded Product: 1-(Pyridin-3-yl)ethanone.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Moi, Rajib; Nath, Karabi; Biradha, Kumar published the artcile< Tailoring Coordination Polymers by Substituent Effect: A Bifunctional CoII-Doped 1D-Coordination Network with Electrochemical Water Oxidation and Nitroaromatics Sensing>, SDS of cas: 3731-53-1, the main research area is cadmium trispyridinylmethylbenzenetricarboxamide isophthalato complex preparation fluorescence catalyst electrochem; crystal structure cadmium trispyridinylmethylbenzenetricarboxamide isophthalato complex; Coordination polymer; fluorescence; nitroaromatic compounds; sensing; water oxidation.

Three CdII coordination polymers (CPs) were synthesized with a tripodal ligand N,N’,N’ ‘-tris(4-pyridinylmethyl)-1,3,5-benzenetricarboxamide in combination with three different substituted isophthalic acids {[Cd2(L)(NIP)2(H2O)2].4H2O}n, (CP-1), {[Cd2(L)(AIP)2(H2O)2].4H2O}n, (CP-2) and {[Cd(L)(BIP) (H2O)].4H2O}n, (CP-3). The substituent groups on the co-ligand had profound effect on the network topologies of the corresponding CPs as well as their properties. Out of the three, CP-1 and CP-2 form 3-dimensional networks whereas CP-3 was a 1-dimensional linear chain with uncoordinated pyridyl sites. Due to its structural features CP-3 was found to show interesting properties. The 1-dimensional CP containing uncoordinated pyridyl site exhibited an excellent ability for doping with CoII which in turn acts as an efficient water oxidation electrocatalyst with required overpotential of 380 mV for an anodic c.d. of 1 mA cm-2. The CP also exhibited luminescence-based detection of nitroaroms. (LOD: 0.003 mM) without any significant interference in presence of other organic compounds

Chemistry – An Asian Journal published new progress about Coordination polymers Role: ARG (Analytical Reagent Use), CAT (Catalyst Use), PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), ANST (Analytical Study), USES (Uses), PROC (Process), PREP (Preparation). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, SDS of cas: 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem