Tag: M.W=100-150

Li, Xiao-Gen; Li, Fu; Xu, Yue; Xiao, Li-Jun; Xie, Jian-Hua; Zhou, Qi-Lin published the artcile< Hydrogenation of Esters by Manganese Catalysts>, COA of Formula: C7H7NO2, the main research area is primary alc preparation; ester hydrogenation manganese catalyst.

The hydrogenation of esters catalyzed by a manganese complex of phosphine-aminopyridine ligand was developed. Using this protocol, a variety of (hetero)aromatic and aliphatic carboxylates including biomass-derived esters and lactones were hydrogenated to primary alcs. R1CH2OH [R1 = Me, Ph, 2-furyl, etc.] with 63-98% yields. The manganese catalyst was found to be active for the hydrogenation of Me benzoate, providing benzyl alc. with turnover numbers (TON) as high as 45,000. Investigation of catalyst intermediates indicated that the amido manganese complex was the active catalyst species for the reaction.

Advanced Synthesis & Catalysis published new progress about Esters Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Liu, Mao-Chin; Lin, Tai-Shun; Cory, Joseph G.; Cory, Ann H.; Sartorelli, Alan C. published the artcile< Synthesis and Biological Activity of 3- and 5-Amino Derivatives of 2-Pyridinecarboxaldehyde Thiosemicarbazone>, Computed Properties of 56622-54-9, the main research area is Hydrazinecarbothioamide pyridinylmethylene preparation ribonucleoside diphosphate reductase; pyridinecarboxaldehyde thiosemicarbazone preparation ribonucleoside diphosphate reductase; CDP reductase pyridinecarboxaldehyde thiosemicarbazone preparation.

A series of 3- and 5-alkylamino derivatives, as well as other structurally modified analogs of 2-pyridinecarboxaldehyde thiosemicarbazone, were synthesized and evaluated as inhibitors of CDP reductase activity and for their cytotoxicity in vitro and antineoplastic activity in vivo against the L1210 leukemia. Examples of the target compounds were the pyridinecarboxaldehyde thiosemicarbazones I (R = alkyl, allyl). The most biol. active compounds were I (R = Me, Et, allyl), which were potent inhibitors of ribonucleotide reductase with corresponding IC50 values of 1.3, 1.0, and 1.4 μM. The latter compounds produced a significant prolongation of the survival time of L1210 leukemia-bearing mice, with corresponding optimum % T/C values of 223, 204, and 215 when administered twice daily for six consecutive days at dosages of 60, 80, and 80 mg/kg, resp.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Computed Properties of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sheehy, Kevin J.; Bateman, Lorraine M.; Flosbach, Niko T.; Breugst, Martin; Byrne, Peter A. published the artcile< Identification of N- or O-Alkylation of Aromatic Nitrogen Heterocycles and N-Oxides Using 1H-15N HMBC NMR Spectroscopy>, Recommanded Product: 3-(Methoxycarbonyl)pyridine, the main research area is aromatic nitrogen heterocycle oxide alkylation HMBC NMR.

A series of representative diazines and pyridine N-oxides were subjected to alkylation using several different alkylating agents. The 15N NMR chem. shifts (δN values) of the diazines, pyridine N-oxides and derived alkylation products were determined using 1H-15N HMBC NMR spectroscopy at natural 15N abundance. The changes in the 15N NMR chem. shifts (Δ(δN) values) that occurred on going from starting materials to products in these reactions were analyzed. N-alkylation of diazines resulted in large upfield shifts of the δN values of the alkylated nitrogen (of the order of 100 ppm or greater). While O-alkylation of pyridine N-oxides resulted in upfield shifts of the δN values of the N-(alkoxy)pyridinium nitrogen, the Δ(δN) values were of a much smaller magnitude (ca. -42 ppm) than those observed for N-alkylations of diazines. Nitrogen NMR spectroscopic data from the literature of relevance to alkylation of azines, diazines, azine N-oxides and diazine N-oxides was gathered together, and using this in tandem with our 15N NMR spectroscopic data, we have been able to corroborate our observations on the trends observed in the Δ(δN) values associated with N- and O-alkylation reactions of aromatic N-heterocycles and N-oxides. An anal. protocol that relies on synergistic evaluation of 1H-15N HMBC and 1H-13C HMBC NMR spectra has been developed that enables unambiguous diagnosis of the occurrence of N-alkylation of aromatic N-heterocycles and O-alkylation of aromatic N-oxides.

European Journal of Organic Chemistry published new progress about Alkylation. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Recommanded Product: 3-(Methoxycarbonyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Georgiou, Charis; McNae, Iain; Wear, Martin; Ioannidis, Harris; Michel, Julien; Walkinshaw, Malcolm published the artcile< Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders>, Category: pyridine-derivatives, the main research area is drug design diaminopyridine cyclophilin binding; PPIases; cyclophilin inhibitors; fragment-based drug discovery; free energy calculations; protein–ligand X-ray crystallography.

Fragment-based drug discovery is an increasingly popular method to identify novel small-mol. drug candidates. One of the limitations of the approach is the difficulty of accurately characterizing weak binding events. This work reports a combination of X-ray diffraction, surface plasmon resonance experiments and mol. dynamics simulations for the characterization of binders to different isoforms of the cyclophilin (Cyp) protein family. Although several Cyp inhibitors have been reported in the literature, it has proven challenging to achieve high binding selectivity for different isoforms of this protein family. The present studies have led to the identification of several structurally novel fragments that bind to diverse Cyp isoforms in distinct pockets with low millimolar dissociation constants A detailed comparison of the merits and drawbacks of the exptl. and computational techniques is presented, and emerging strategies for designing ligands with enhanced isoform specificity are described.

Journal of Molecular Biology published new progress about Cyclophilins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (inhibitors). 212268-13-8 belongs to class pyridine-derivatives, and the molecular formula is C5H6FN3, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Van Lommel, Ruben; Rutgeerts, Laurens A. J.; De Borggraeve, Wim M.; De Proft, Frank; Alonso, Mercedes published the artcile< Rationalising Supramolecular Hydrogelation of Bis-Urea-Based Gelators through a Multiscale Approach>, Application of C6H8N2, the main research area is urea gelator supramol hydrogelation density functional theory mol dynamics; aggregation; gels; molecular dynamics; noncovalent interactions; self-assembly.

The current approach to designing low-mol.-weight gelators relies on a laborious trial-and-error process, mainly because of the lack of an accurate description of the noncovalent interactions crucial for supramol. gelation. In this work, we report a multiscale bottom-up approach composed of several computational techniques to unravel the key interactions in a library of synthesized bis-urea-based gelators and rationalize their exptl. observed hydrogelation performance. In addition to d. functional theory calculations and mol. dynamics, the noncovalent interaction index is applied as a tool to visualise and identify the different types of noncovalent interactions. Interestingly, as well as hydrogen bonds between urea moieties, hydrogen bonds between a urea moiety and a pyridine ring were shown to play a detrimental role in the early aggregation phase. These findings enabled us to explain the hydrogelation performance observed in a library of twelve bis-urea derivatives, which were synthesized with 58-95 % yields. From this library, three compounds were discovered to effectively gel water, with the most efficient hydrogelator only requiring a concentration of 0.2 w/v%.

ChemPlusChem published new progress about Aggregation. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei published the artcile< An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines>, Name: 3-(Methoxycarbonyl)pyridine, the main research area is diboron pyridine inverse hydroboration deuteration; dihydropyridine preparation.

The first inverse hydroboration of pyridine with a diboron compound and a proton source was realized under simple basic and catalyst-free conditions. This process consisted of a formal boryl anion addition to pyridine, which produced an N-boryl pyridyl anion complex and the subsequent protonation of the anion complex. This process enabled a simple and efficient method for the synthesis of multi-substituted N-H 1,4-dihydropyridine (1,4-DHP) derivatives that were difficult to prepare using established methods. Furthermore, this method allowed facile preparation of 4-deuterated 1,4-DHPs from an easily accessible deuterium ion source. This inverse hydroboration reaction represented a new mode for pyridine functionalization.

Chemical Science published new progress about Deuteration, regioselective. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Name: 3-(Methoxycarbonyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kusumoto, Sotaro; Atoini, Youssef; Masuda, Shunya; Kim, Jee Young; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuery, Pierre published the artcile< Zwitterionic and Anionic Polycarboxylates as Coligands in Uranyl Ion Complexes, and Their Influence on Periodicity and Topology>, Product Details of C7H7NO2, the main research area is preparation crystal structure zwitterionic polycarboxylate uranyl complexes; polycarboxylate uranyl complexes coordination polymers photoluminescence quantum yield.

The three zwitterionic di- and tricarboxylate ligands 1,1′-[(2,3,5,6-tetramethylbenzene-1,4-diyl)bis(methylene)]bis(pyridin-1-ium-4-carboxylate) (pL1), 1,1′-[(2,3,5,6-tetramethylbenzene-1,4-diyl)bis(methylene)]bis(pyridin-1-ium-3-carboxylate) (mL1), and 1,1′,1′′-[(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene)]tris(pyridin-1-ium-4-carboxylate) (L2) were used as ligands to synthesize 15 uranyl ion complexes involving various anionic coligands, in most cases polycarboxylates. [(UO2)2(pL1)2(cbtc)(H2O)2]·10H2O (1, cbtc4- = cis,trans,cis-1,2,3,4-cyclobutanetetracarboxylate) is a discrete, dinuclear ring-shaped complex with a central cbtc4- pillar. While [UO2(pL1)(NO3)2] (2), [UO2(pL1)(OAc)2] (3), and [UO2(pL1)(HCOO)2] (4) are simple chains, [(UO2)2(mL1)(1,3-pda)2] (5, 1,3-pda2- = 1,3-phenylenediacetate) is a daisy chain and [UO2(pL1)(pdda)]3·10H2O (6, pdda2- = 1,2-phenylenedioxydiacetate) is a double-stranded, ribbon-like chain. Both [UO2(pL1)(pht)]·5H2O (7, pht2- = phthalate) and [(UO2)3(mL1)(pht)2(OH)2] (8) crystallize as diperiodic networks with the sql topol., the latter involving hydroxo-bridged trinuclear nodes. [(UO2)2(pL1)(c/t-1,3-chdc)2] (9, c/t-1,3-chdc2- = cis/trans-1,3-cyclohexanedicarboxylate) and [UO2(pL1)(t-1,4-chdc)]·1.5H2O (10, t-1,4-chdc2- = trans-1,4-cyclohexanedicarboxylate) are also diperiodic, with the V2O5 and sql topologies, resp. Both [(UO2)2(mL1)(c/t-1,4-chdc)2] (11) and [(UO2)2(pL1)(1,2-pda)2] (12, 1,2-pda2- = 1,2-phenylenediacetate) crystallize as diperiodic networks with hcb topol., and they display 3-fold parallel interpenetration. [HL2][(UO2)3(L2)(adc)3]Br (13, adc2- = 1,3-adamantanedicarboxylate) contains a very corrugated hcb network with two different kinds of cells, and the uncoordinated HL2+ mol. associates with the coordinated L2 to form a capsule containing the bromide anion. [(UO2)2(pL1)(kpim)2] (14, kpim2- = 4-ketopimelate) is a three-periodic framework with pL1 mols. pillaring fes diperiodic subunits, whereas [(UO2)2(L2)2(t-1,4-chdc)](NO3)1.7Br0.3·6H2O (15), the only cationic complex in the series, is a triperiodic framework with dmc topol. and t-1,4-chdc2- anions pillaring fes diperiodic subunits. Solid-state emission spectra and photoluminescence quantum yields are reported for all complexes.

Inorganic Chemistry published new progress about Carboxylic acids, carboxylic acid uranyl complexes Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Product Details of C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sekimata, Katsuhiko; Sato, Tomohiro; Sakai, Naoki; Watanabe, Hisami; Mishima-Tsumagari, Chiemi; Taguri, Tomonori; Matsumoto, Takehisa; Fujii, Yoshifumi; Handa, Noriko; Honma, Teruki; Tanaka, Akiko; Shirouzu, Mikako; Yokoyama, Shigeyuki; Miyazono, Kohei; Hashizume, Yoshinobu; Koyama, Hiroo published the artcile< Bis-heteroaryl pyrazoles: identification of orally bioavailable inhibitors of activin receptor-like kinase-2 (R206H)>, HPLC of Formula: 93-60-7, the main research area is bisheteroaryl pyrazole ALK2 mutation inhibitor oral bioavailability; activin receptor-like kinase-2; fibrodysplasia ossificans progressiva; inhibitor.

Mutant activin receptor-like kinase-2 (ALK2) was reported to be closely associated with the pathogenesis of fibrodysplasia ossificans progressiva (FOP) and diffuse intrinsic pontine glioma (DIPG), and therefore presents an attractive target for therapeutic intervention. Through in silico virtual screenings and structure-activity relationship studies assisted by X-ray crystallog. analyses, a novel series of bis-heteroaryl pyrazole was identified as potent inhibitors of ALK2 (R206H). Derived from in silico hit compound RK-59638 (6a), compound 18p was identified as a potent inhibitor of ALK2 (R206H) with good aqueous solubility, liver microsomal stability, and oral bioavailability.

Chemical & Pharmaceutical Bulletin published new progress about Activin receptor ACVRLK2 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, HPLC of Formula: 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Awasthi, Amardeep; Mukherjee, Anagh; Singh, Mandeep; Rathee, Garima; Vanka, Kumar; Chandra, Ramesh published the artcile< Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst>, Electric Literature of 3731-53-1, the main research area is tertiary butyl carbamate chemoselective preparation DFT; amine tertiary butyldicarbonate carbonylation diphenylglycoluril organocatalyst.

An efficient approach for the chemoselective synthesis of tertiary-butyl-carbamates I [R1 = Ph, 4-BrC6H4, PhCH2CH2, etc.; R2 = H; R1R2 = CH2CH2N(Ph)CH2CH2] via N-tert-butoxycarbonylation of a variety of amines using diphenylglycoluril as organocatalyst was described. For the first time, a plausible mechanism for the N-tert-butoxycarbonylation was proposed using d. functional theory (DFT) calculations supported by NMR studies. The reusability of the organocatalyst and observation of the desired N-Boc protected amines I being formed without the formation of side products like urea, oxazolidinone, isocyanate, and N, N-di-Boc derivatives made the present protocol desirable.

Tetrahedron published new progress about Alkoxycarbonylation. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Electric Literature of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhu, YuLi; Xu, Wei; OuYang, LiangLiang; Wang, Hong; Mao, WeiWei; Zhou, HuiXiang; Shen, Chao; Hu, ZhiJian; Tan, YunChang published the artcile< Topical Application of Methyl Nicotinate Solution Enhances Peripheral Blood Collection.>, Product Details of C7H7NO2, the main research area is T lymphocyte subsets; blood collection; methyl nicotinate solution; nicotinic acid; peripheral blood; routine blood tests; topical application.

OBJECTIVE: The purpose of this study was to investigate whether local application of methyl nicotinate solution can change the content and proportion of blood cells in peripheral blood samples and to determine whether this treatment is a safe and reliable method for improving peripheral blood collection. METHODS: Routine blood analysis and flow cytometry were used to analyze the contents and proportions of blood cells and T lymphocyte subsets in peripheral blood samples. Experimental blood specimens were collected from earlobes treated with different concentrations of methyl nicotinate solution, and the control group consisted of blood specimens collected from untreated earlobes. RESULTS: The blood flow in the earlobe was significantly increased after methyl nicotinate solution stimulation, especially when the methyl nicotinate solution concentration was greater than 10-4 mol/L. There were no significant changes in the proportions of white blood cells, red blood cells, platelets, neutrophils, eosinophils, basophils, monocytes, or lymphocytes in the peripheral blood obtained from earlobes treated with methyl nicotinate solution. The proportion of T lymphocytes increased in the experimental group, but this difference was not significant. CONCLUSION: Local application of methyl nicotinate solution is a feasible method for improving peripheral blood collection, especially for patients with venous blood collection phobia or an inability to provide venous blood samples.

Laboratory medicine published new progress about 93-60-7. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Product Details of C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem