Category: 3731-53-1

Wang, Hai; Wang, Liang; Wang, Sai; Dong, Xue; Zhang, Jian; Xiao, Feng-Shou published the artcile< Aerobic Activation of C-H Bond in Amines Over a Nanorod Manganese Oxide Catalyst>, Application of C6H8N2, the main research area is aerobic activation amine nanorod manganese oxide catalyst; amide preparation green chem.

The development of heterogeneous catalysts for the synthesis of pharmaceutically relevant compounds is always important for chem. research. Here, we report a selective aerobic oxidation of aromatic and aliphatic amines to corresponding amides over a nanorod manganese oxide (NR-MnOx) catalyst. The kinetic studies reveal that the NR-MnOx catalyzed amine-to-amide reaction proceeds the oxidative dehydrogenation of the amines into nitriles, followed by hydrolysis of nitrile into amides. The NR-MnOx exhibits fast kinetics and high selectivities in these steps, as well as hinders the byproduct formation. More importantly, the NR-MnOx catalyst is stable and reusable in the continuous recycle tests with water as a sole byproduct, exhibiting superior sustainability and significant advancement to outperform the traditional amide production route in acidic or basic media with toxic byproducts.

ChemCatChem published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

An, Yunfei; Dong, Yue; Liu, Min; Han, Jun; Zhao, Liyu; Sun, Bin published the artcile< Novel naphthylamide derivatives as dual-target antifungal inhibitors: Design, synthesis and biological evaluation>, Application In Synthesis of 3731-53-1, the main research area is naphthylamide imidazole preparation antifungal activity mol docking SAR; squalene epoxidase cytochrome P450 enzyme inhibitor; Antifungal activity; Dual-target; Fungal infections; Inhibitors; Organic synthesis.

In the study, a series of active fragments were screened through the method of De Novo Link, and these active fragments with the higher Ludi_Scores were selected, which can show the obvious binding ability with the dual targets (SE, CYP51). Subsequently, three series of target compounds with naphthyl amide scaffolds were constructed by connecting these core fragments, and their structures were synthesized. Most of compounds showed the antifungal activity in the treatment of pathogenic fungi. It was worth noting that compoundsI [R = pyridin-4-ylmethyl] and II [R = methyl] with the excellent broad-spectrum antifungal properties also exhibited the obvious antifungal effects against drug-resistant fungi. Preliminary mechanism study has proved these target compounds can block the biosynthesis of ergosterol by inhibiting the activity of dual targets (SE, CYP51). Furthermore, target compounds I [R = pyridin-4-ylmethyl] and II [R = methyl] with low toxicity side effects also demonstrated the excellent pharmacol. effects in vivo. The mol. docking and ADMET prediction were performed, which can guide the optimization of subsequent lead compounds

European Journal of Medicinal Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application In Synthesis of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhao, Changgui; Ye, Zhengqing; Ma, Zhi-xiong; Wildman, Scott A.; Blaszczyk, Stephanie A.; Hu, Lihong; Guizei, Ilia A.; Tang, Weiping published the artcile< A general strategy for diversifying complex natural products to polycyclic scaffolds with medium-sized rings>, HPLC of Formula: 3731-53-1, the main research area is polycyclic steroid preparation oxidation ring expastion natural product.

The interrogation of complex biol. pathways demands diverse small mol. tool compounds, which can often lead to important therapeutics for the treatment of human diseases. Since natural products are the most valuable source for the discovery of therapeutics, the derivatization of natural products has been extensively investigated to generate mols. for biol. screenings. However, most previous approaches only modified a limited number of functional groups, which resulted in a limited number of skeleta. Here, a general strategy for the preparation of a library of complex small mols. by combining state-of-the-art chem. – the site-selective oxidation of C-H bonds – with reactions that expand rigid, small rings in polycyclic steroids to medium-sized rings is described. This library occupies a unique chem. space compared to selected diverse reference compounds The diversification strategy developed herein for steroids can also be expanded to other types of natural products.

Nature Communications published new progress about Alkylation. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, HPLC of Formula: 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sun, Bin; Dong, Yue; Lei, Kang; Wang, Jian; Zhao, Liyu; Liu, Min published the artcile< Design, synthesis and biological evaluation of amide-pyridine derivatives as novel dual-target (SE, CYP51) antifungal inhibitors>, COA of Formula: C6H8N2, the main research area is amide pyridine derivative preparation squalene cyclooxygenase CYP51 inhibitor antifungal; 3D QSAR model; Amide-pyridine compounds; Antifungal activity; Dual-target; Molecular docking.

Based on the anal. of the squalene cyclooxygenase (SE) and 14α-demethylase (CYP51) inhibitors pharmacophore feature and the dual-target active sites, a series of compounds with amide-pyridine scaffolds have been designed and synthesized to treat the increasing incidence of drug-resistant fungal infections. In vitro evaluation showed that these compounds have a certain degree of antifungal activity. The most potent compounds 11a, 11b with MIC values in the range of 0.125-2 μg/mL had a broad-spectrum antifungal activity and exhibited excellent inhibitory activity against drug-resistant pathogenic fungi. Preliminary mechanism studies revealed that the compound 11b might play an antifungal role by inhibiting the activity of SE and CYP51. Notably compounds did not show the genotoxicity through plasmid binding assay. Finally, this study of mol. docking, ADME/T prediction and the construction of 3D QSAR model were performed. These results can point out the direction for further optimization of the lead compound

Bioorganic & Medicinal Chemistry published new progress about Drug resistance. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, COA of Formula: C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hawash, Mohammed; Kahraman, Deniz Cansen; Ergun, Sezen Guntekin; Cetin-Atalay, Rengul; Baytas, Sultan Nacak published the artcile< Synthesis of novel indole-isoxazole hybrids and evaluation of their cytotoxic activities on hepatocellular carcinoma cell lines>, Quality Control of 3731-53-1, the main research area is indole isoxazole carboxamide preparation antitumor activity physicochem property; Apoptosis; CDK4; Cell cycle arrest; Hepatocellular carcinoma; Indole; Isoxazole.

In this study, a series of indole-3-isoxazole-5-carboxamide derivatives I (R = n-butylamine, 3,4,5-(trimethoxyphenyl)aminyl, morpholin-4-yl, etc.) was designed, synthesized, and evaluated for their anticancer activities. The cytotoxic activity was performed against Huh7, MCF7 and HCT116 cancer cell lines using sulforhodamine B assay. Some compounds I showed potent anticancer activities and three of them were chosen for further evaluation on liver cancer cell lines based on SRB assay and real-time cell growth tracking anal. Compounds I were shown to cause arrest in the G0/G1 phase in Huh7 cells and caused a significant decrease in CDK4 levels. A good correlation was obtained between the theor. predictions of bioavailability using Molinspiration calculation, Lipinski’s rule of five, and exptl. verification. These investigations reveal that indole-isoxazole hybrid system have the potential for the development of novel anticancer agents.

BMC Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Quality Control of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mandal, Rajorshi; Garai, Abhijit; Peli, Simone; Datta, Prasanta K.; Biradha, Kumar published the artcile< Photoinduced bending of single crystals of a linear bis-olefin via water-templated solid-state [2+2] photopolymerization reaction>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is photocycloaddition photopolymerization crystal bending; photoactuators; photochemistry; photoinduced bending; solid-state [2+2] photopolymerization.

The single crystals of two structural isomers of bis-olefinic mols. were shown to have contrasting properties in terms of their photoreactivity: one exhibits an excellent ability to form polymers, accompanied with bending of crystals upon irradiation, while the other is photostable. The photoreactive crystal is a first example in which [2+2] polymerization leads to bending of the crystals, with implications for the design of photoactuators. The hydrate formation ability of one of these mol. isomers promotes the solid-state reactivity in its crystal, as the H2O mols. act as a template to bring the olefin mols. into the required arrangement for [2+2] polymerization Further, the crystals of the polymer exhibited better flexibility and smoothed surfaces compared to those of the monomers. In addition, under UV-light the diene emits bluish violet light while the polymer emits green light, indicating that the luminescence property can be tuned through photoirradiation

Chemistry – A European Journal published new progress about [2+2] Photocycloaddition reaction. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Xiaotong; He, Yihui; Kepenekian, Mikael; Guo, Peijun; Ke, Weijun; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. published the artcile< Three-Dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse>, Formula: C6H8N2, the main research area is lead iodide perovskitoid hybrid 3D high X ray photoresponse; X ray detector lead iodide perovskitoid hybrid; crystal structure lead iodide perovskitoid hybrid.

Large organic A cations cannot stabilize the 3D perovskite AMX3 structure because they cannot be accommodated in the cubo-octahedral cage (do not follow the Goldschmidt tolerance factor rule), and they generally template low-dimensional structures. Here we report that the large dication aminomethylpyridinium (AMPY) can template novel 3D structures which resemble conventional perovskites. They have the formula (xAMPY)M2I6 (x = 3 or 4, M = Sn2+ or Pb2+) which is double of the AMX3 formula. However, because of the steric requirement of the Goldschmidt tolerance factor rule, it is impossible for (xAMPY)M2I6 to form proper perovskite structures. Instead, a combination of corner-sharing and edge-sharing connectivity is adopted in these compounds leading to the new 3D structures. DFT calculations reveal that the compounds are indirect band gap semiconductors with direct band gaps presenting at slightly higher energies and dispersive electronic bands. The indirect band gaps of the Sn and Pb compounds are ~1.7 and 2.0 eV, resp., which is slightly higher than the corresponding AMI3 3D perovskites. The Raman spectra for the compounds are diffuse, with a broad rising central peak at very low frequencies around 0 cm-1, a feature that is characteristic of dynamical lattices, high anharmonicity, and dissipative vibrations very similar to the 3D AMX3 perovskites. Devices of (3AMPY)Pb2I6 crystals exhibit clear photoresponse under ambient light without applied bias, reflecting a high carrier mobility (μ) and long carrier lifetime (τ). The devices also exhibit sizable X-ray generated photocurrent with a high μτ product of ~1.2 x 10-4 cm2 /V and an X-ray sensitivity of 207 μC·Gy-1·cm-2.

Journal of the American Chemical Society published new progress about Band structure. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Formula: C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ferreira, Joana T.; Pina, Joao; Ribeiro, Carlos A. F.; Fernandes, Rosa; Tome, Joao P. C.; Torres, Tomas; Rodriguez-Morgade, M. Salome published the artcile< A ruthenium phthalocyanine functionalized with a folic acid unit as a photosensitizer for photodynamic therapy: Synthesis, characterization and in vitro evaluation>, Category: pyridine-derivatives, the main research area is ruthenium phthalocyanine functionalization folic acid photosensitizer photodynamic therapy.

A folate-targeted ruthenium(II) phthalocyanine (Ru(FA-Py)(DMSO)(PEG)8Pc), endowed with a pyridyl ligand functionalized with one folic acid unit (FA-Py) at one of the two axial coordination sites, and a dimethylsulfoxide (DMSO) ligand coordinated to the other axial position, resp., is described. In order to enhance its biocompatibility, the RuPc is donated with eight PEG chains attached at the peripheral positions. The observed singlet oxygen quantum yields of the PS measured in DMSO and in water are of 0.74 and 0.36, resp., in line with those observed for other RuPcs bearing comparable axial and peripheral substitution. In vitro PDT activity of the compound has been evaluated in HT-1376 human bladder cancer cell line. Ru(FA-Py)(DMSO)(PEG)8Pc revealed a slightly higher cellular uptake than those observed for the corresponding carbohydrate-substituted PSs and a better photodynamic activity compared to the glucose-functionalized RuPc.

Journal of Porphyrins and Phthalocyanines published new progress about Biocompatibility. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Verma, Meenakshi; Chaudhary, Monika; Singh, Amanpreet; Kaur, Navneet; Singh, Narinder published the artcile< Naphthalimide-gold-based nanocomposite for the ratiometric detection of okadaic acid in shellfish>, Application of C6H8N2, the main research area is naphthalimide gold nanocomposite nanoparticle okadaic acid shellfish.

Okadaic acid (OA) is one of the known marine biotoxins produced by various dinoflagellates and exists in seafood such as shellfish. The consumption of contaminated shellfish with OA leads to diarrheic shellfish poisoning (DSP), which results in the inhibition of protein phosphatase enzymes in humans. This poisoning can cause immunotoxicity and tumor promotion due to the accumulation of okadaic acid in more than the allowed limit in bivalve molluscs. The reported methods for the detection of okadaic acid include mouse bioassays, immunoassays, chromatog. coupled with spectroscopic techniques, electrochem. sensors and immunosensors. We have developed a naphthalimide-gold-based nanocomposite for the detection of okadaic acid. Individually, the organic nanoparticles (ONPs) of synthesized naphthalimide-based receptors and gold-coated ONPs are less sensitive for detection. However, fabrication of the composite of Au@ONPs and ONPs enhance the sensing properties and selectivity. The composite shows a ratiometric response in the UV-Vis absorption spectrum and quenching in the fluorescence profile with a detection limit of 20 nM for OA in aqueous medium. In cyclic voltammetry, a shift was observed in the cathodic peak (-0.532 V to -0.618 V) as well as in the anodic peak (-0.815 V to -0.847 V) with the addition of okadaic acid. To study the quick binding of the composite with OA, a time response experiment was performed. Also, the developed sensor retains its sensing ability in the pH range of 5-9 and in high salt conditions. Our developed composite can be used for the detection of OA in real applications.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about Bioassay. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gangireddy, Madhu Sudhana Reddy; Mantipally, Manohar; Badavath, Vishnu Nayak; Maddipati, Venkatanarayana Chowdary; Paidikondala, Kalyani; Katari, Naresh Kumar; Gundla, Rambabu published the artcile< Design, synthesis and molecular docking of piperidin-4-amine linked pyrimidine derivatives as potent anticancer agents>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is aminopiperidinyl hydroxycyclohexylamino pyrimidine carboxamide preparation cytotoxicity antitumor SAR docking.

A series of rationally designed novel hybrid piperidin-4-amine linked pyrimidine derivatives I [R = n-propylamino, cyclobutylamino, phenylethylamino, etc.] were synthesized. Compound I [R = 3,4-dimethoxyphenylethylamino] was found to be most potent with (IC50 = 1.92μM, 60.94% inhibition), while I [R = 4-pyridylethylamino] (IC50 of 5.2μM, 66.45% inhibition), the second most potent among all, against HepG2 human liver cancer cell lines. Compounds I [R = 4-pyridylethylamino, 4-fluorophenylmethylamino] exhibited excellent inhibition percentages of 66.45 and 68.76 resp., compared to pos. control Paclitaxel (62.12%). In-silico target hunting for the potent compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] revealed two possible targets, one was binding with human estrogen receptor and other one was inhibiting tubulin polymerization The mol. docking studies suggested that compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] with hydrophobic group linked by an alkyl chain may facilitate free access in the Helix 12 domain (in determining potency plays a crucial role) in the human estrogen receptor’s active and also inhibiting the tubulin polymerase by binding site at α/β-tubuline interface at colchicine binding site.

Chemical Data Collections published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem