3-Methoxy-4-trifluoromethyl pyridine - CAS 936841-72-4
Catalog number: 936841-72-4
Category: Main Product
Molecular Formula:
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Boiling Point:
208.8ºC at 760 mmHg
1.263 g/cm3
1.Fluorescence, Photophysical Behaviour and DFT Investigation of E,E-2,5-bis[2-(3-pyridyl)ethenyl]pyrazine (BPEP).
Al-Soliemy AM1, Osman OI1,2, Hussein MA1,3, Asiri AM4,5, El-Daly SA6,7. J Fluoresc. 2016 Apr 15. [Epub ahead of print]
E,E-2,5-bis[2-(3-pyridyl)ethenyl]pyrazine (BPEP) has been prepared by aldol condensation between 2,5-dimethylpyrazine and pyridine-3-carboxaldehyde. It is characterized by IR, 1H NMR, and 13C NMR. The electronic absorption and emission properties of BPEP were studied in different solvents. BPEP displays a slight solvatochromic effect of the absorption and emission spectrum, indicating a small change in dipole moment of BPEP upon excitation. The dye solutions (1 × 10-4 M) in CHCl3, EtOH and dioxane give laser emission in blue region upon excitation by a 337.1 nm nitrogen pulse (λ = 337 nm). The tuning range, gain coefficient (α) and emission cross - section (σe) have been determined. Ground and excited states electronic geometric optimizations were performed using density functional theory (DFT) and time-dependent density functional theory (TD-DFT), respectively. A DFT natural bond analysis complemented the ICT. The simulated maximum absorption and emission wavelengths are in line the observed ones in trend, and are proportionally red-shifted with the increase of the solvent polarity.
2.Effects of acetylation on the emulsifying properties of Artemisia sphaerocephala Krasch. polysaccharide.
Li J1, Hu X2, Li X1, Ma Z1. Carbohydr Polym. 2016 Jun 25;144:531-40. doi: 10.1016/j.carbpol.2016.02.039. Epub 2016 Feb 26.
In the present study, polysaccharides extracted from Artemisia sphaerocephala Krasch. seeds (ASKP) were acetylated to improve the emulsifying properties of the macromolecules. Several methods were applied for the acetylation purpose, among which the acetic anhydride-pyridine method with formamide as solvent was found to be the most effective one. Acetylated ASKPs with various degree of substitution (DS) were successfully produced and structurally characterized using HPSEC-MALS, FTIR and (1)H NMR techniques in this study. Results showed that acetylation treatment could cause the degradation of ASKP. Moreover, with the increase of DS, both the molecular weight and radius of gyration increased, as well as the molecular conformation trended to be more compact. Low DS (DS: 0.04 and 0.13) conferred acetylated ASKP a lower viscosity than that of ASKP. With the increase of DS, the viscosity of acetylated ASKPs increased and exceeded that of ASKP.
3.Discovery, Synthesis and Pre-Clinical Characterization of N-(3-chloro-4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (VU0418506), a novel positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu4).
Engers DW, Blobaum AL, Gogliotti RD, Cheung YY, Salovich JM, Garcia-Barrantes PM, Daniels JS, Morrison R, Jones CK, Soars MG, Zhuo X, Hurley J, Macor JE, Bronson JJ, Conn PJ, Lindsley CW, Niswender CM, Hopkins CR. ACS Chem Neurosci. 2016 Apr 13. [Epub ahead of print]
The efficacy of positive allosteric modulators (PAMs) of the metabotropic glutamate receptor 4 (mGlu4) in pre-clinical rodent models of Parkinson's disease has been established by a number of groups. Here, we report an advanced pre-clinically characterized mGlu4 PAM, N-(3-chloro-4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (VU0418506). We detail the discovery of VU0418506 starting from a common picolinamide core scaffold and evaluation of a number of amide bioisosteres leading to the novel pyrazolo[4,3-b]pyridine head group. VU0418506 has been characterized as a potent and selective mGlu4 PAM with suitable in vivo pharmacokinetic properties in three preclinical safety species.
4.Synthesis and characterisation of 5-acyl-6,7-dihydrothieno[3,2-c]pyridine inhibitors of Hedgehog acyltransferase.
Lanyon-Hogg T1, Masumoto N1, Bodakh G1, Konitsiotis AD2, Thinon E1, Rodgers UR2, Owens RJ3, Magee AI2, Tate EW1. Data Brief. 2016 Feb 10;7:257-81. doi: 10.1016/j.dib.2016.02.012. eCollection 2016.
In this data article we describe synthetic and characterisation data for four members of the 5-acyl-6,7-dihydrothieno[3,2-c]pyridine (termed "RU-SKI") class of inhibitors of Hedgehog acyltransferase, including associated NMR spectra for final compounds. RU-SKI compounds were selected for synthesis based on their published high potencies against the enzyme target. RU-SKI 41 (9a), RU-SKI 43 (9b), RU-SKI 101 (9c), and RU-SKI 201 (9d) were profiled for activity in the related article "Click chemistry armed enzyme linked immunosorbent assay to measure palmitoylation by Hedgehog acyltransferase" (Lanyon-Hogg et al., 2015) [1]. (1)H NMR spectral data indicate different amide conformational ratios between the RU-SKI inhibitors, as has been observed in other 5-acyl-6,7-dihydrothieno[3,2-c]pyridines. The synthetic and characterisation data supplied in the current article provide validated access to the class of RU-SKI inhibitors.
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CAS 936841-72-4 3-Methoxy-4-trifluoromethyl pyridine

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