Month: December 2022

Benyettou, Farah published the artcileRedox-Responsive Viologen-Mediated Self-Assembly of CB[7]-Modified Patchy Particles, Formula: C22H18Cl2N2, the publication is Langmuir (2016), 32(28), 7144-7150, database is CAplus and MEDLINE.

Sulfonated surface patches of poly(styrene)-based colloidal particles (CPs) were functionalized with cucurbit[7]uril (CB[7]). The macrocycles served as recognition units for di-Ph viologen (DPV²⁺), a rigid bridging ligand. The addition of DPV²⁺ to aqueous suspensions of the particles triggered the self-assembly of short linear and branched chainlike structures. The self-assembly mechanism is based on hydrophobic/ion-charge interactions that are established between DPV²⁺ and surface-adsorbed CB[7]. DPV²⁺ guides the self-assembly of the CPs by forming a ternary DPV²⁺⊂(CB[7])₂ complex in which the two CB[7] macrocycles are attached to two different particles. Viologen-driven particle assembly was found to be both directional and reversible. Whereas sodium chloride triggers irreversible particle disassembly, the one-electron reduction of DPV²⁺ with sodium dithionite causes disassembly that can be reversed via air oxidation Thus, this bottom-up synthetic supramol. approach allowed for the reversible formation and directional alignment of a 2D colloidal material.

Langmuir published new progress about 47369-00-6. 47369-00-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Salt,Benzene,Organic ligands for MOF materials,Nitrogen containing MOF ligands,Nitrogen containing MOF ligands, name is 1,1′-Diphenyl-[4,4′-bipyridine]-1,1′-diium chloride, and the molecular formula is C22H18Cl2N2, Formula: C22H18Cl2N2.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Wang, JiaoYang published the artcileComputational study on C-B homolytic bond dissociation enthalpies of organoboron compounds, Application of 2-Pyridinylboronic acid, the publication is New Journal of Chemistry (2017), 41(3), 1346-1362, database is CAplus.

Based on many transition-metal-catalyzed Suzuki-Miyaura cross-coupling reactions of organoboron compounds in which C-B cleavages are involved, it is meaningful to understand one of the thermodn. properties of the C-B bond, the strength of the C-B bond, which can be measured using homolytic bond dissociation enthalpies (BDEs). To this end, we first calculated 64 C-B BDEs of organoboron compounds by theor. methods including composite high-level ab initio methods of G3, G4, G3B3, CBS-Q, CBS-QB3, and CBS-4M and 34 d. functional theory (DFT) methods. The results show that it is reasonable and credible to regard the average values of six composite high-level methods as the standard C-B BDE values. By comparing the DFT methods, it is found that the M06-HF method provides the most accurate results and the root mean square error (RMSE) is the smallest of 6.4 kJ mol^-1. Therefore, the C-B BDEs including C(sp)-B, C(sp²)-B and C(sp³)-B of organoboron compounds such as boronic acids, trifluoroborate salts, boronate esters, etc. as well as the substituent effects were investigated by using the M06-HF method. The results indicated that the different substituents including electron-donating groups (EDGs), electron-withdrawing groups (EWGs) and conjugated effect groups (CEGs) exhibit different effects on different types of C-B BDEs. Moreover, the natural bond orbital (NBO) anal. was performed in order to further disclose the essence of BDE change patterns.

New Journal of Chemistry published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C15H20O6, Application of 2-Pyridinylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Yuan, Chunling published the artcileCu(II)-catalyzed homocouplings of (hetero)arylboronic acids with the assistance of 2-O-methyl-D-glucopyranose, COA of Formula: C5H6BNO2, the publication is Molecules (2019), 24(20), 3678pp., database is CAplus and MEDLINE.

This is the first report of a natural ligand improving the copper-catalyzed homocouplings of (hetero)arylboronic acids. Various important synthetic biaryl intermediates in organic synthesis could be assembled via this method. To gain insight into this reaction, in-situ React IR technol. was used to confirm the effectivity of this catalyst system. This protocol provides important biaryl compounds in high yields within a short time.

Molecules published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C6H16OSi, COA of Formula: C5H6BNO2.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Li, Yan published the artcilePotassium tert-butoxide promoted regioselective deuteration of pyridines, Formula: C13H13N, the publication is Chemical Communications (Cambridge, United Kingdom) (2022), 58(21), 3497-3500, database is CAplus and MEDLINE.

A regioselective deuteration at the β- and γ-position of pyridines was reported. Efficient deuteration occurred with a combination of KO^tBu and DMSO-d₆, replenishing the prevailing α-deuteration of the pyridine systems. Preliminary mechanistic studies suggested that the dimsyl carbanion acts as one of the key intermediates.

Chemical Communications (Cambridge, United Kingdom) published new progress about 85237-71-4. 85237-71-4 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene, name is 5-Methyl-2-(p-tolyl)pyridine, and the molecular formula is C13H13N, Formula: C13H13N.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Wolkenberg, Scott E. published the artcileDesign, synthesis, and evaluation of novel 3,6-diaryl-4-aminoalkoxyquinolines as selective agonists of somatostatin receptor subtype 2, Recommanded Product: (6-Hydroxypyridin-3-yl)boronic acid, the publication is Journal of Medicinal Chemistry (2011), 54(7), 2351-2358, database is CAplus and MEDLINE.

Agonists of somatostatin receptor subtype 2 (sst₂) have been proposed as therapeutics for the treatment of proliferative diabetic retinopathy and exudative age-related macular degeneration. An HTS screen identified 2-quinolones as weak agonists of sst₂, and these were optimized to provide small mols. with sst₂ binding and functional potency comparable to peptide agonists. Agonist I was shown to inhibit rat growth hormone secretion following systemic administration and to inhibit ocular neovascular lesion formation after local administration.

Journal of Medicinal Chemistry published new progress about 903899-13-8. 903899-13-8 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Alcohol,Boronic Acids,Boronic acid and ester, name is (6-Hydroxypyridin-3-yl)boronic acid, and the molecular formula is C3H5BN2O2, Recommanded Product: (6-Hydroxypyridin-3-yl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Zhang, Yong published the artcileDiscovery of 4-Azaindole Inhibitors of TGFβRI as Immuno-oncology Agents, HPLC of Formula: 39856-58-1, the publication is ACS Medicinal Chemistry Letters (2018), 9(11), 1117-1122, database is CAplus and MEDLINE.

The multi-functional cytokine TGFβ plays a central role in regulating antitumor immunity. It has been postulated that inhibition of TGFβ signaling in concert with checkpoint blockade will provide improved and durable immune response against tumors. Herein, we describe a novel series of 4-azaindole TGFβ receptor kinase inhibitors with excellent selectivity for TGFβ receptor 1 kinase. The combination of compound 3f and an antimouse-PD-1 antibody demonstrated significantly improved antitumor efficacy compared to either treatment alone in a murine tumor model.

ACS Medicinal Chemistry Letters published new progress about 39856-58-1. 39856-58-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Bromide,Amine, name is 2-Bromopyridin-3-amine, and the molecular formula is C39H35N5O8, HPLC of Formula: 39856-58-1.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Xin, Minhang published the artcileSynthesis and biological evaluation of novel 7-substituted 3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amines as potent Bruton’s tyrosine kinase (BTK) inhibitors, COA of Formula: C10H18BNO4, the publication is Bioorganic & Medicinal Chemistry (2015), 23(19), 6250-6257, database is CAplus and MEDLINE.

A series of novel 7-substituted 3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amines I [R¹ = piperidin-3-yl, piperidin-4-yl, 1,2,3,6-tetrahydropyridin-4-yl, etc.] as potent BTK inhibitors were designed, synthesized and evaluated. These thieno[3,2-c]pyridin-4-amine derivatives displayed variant inhibitory activities against BTK in vitro. Among these, 7-pyrazol-4-yl substituted 3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine subseries showed high BTK inhibition and several compounds displayed superior BTK inhibitory activity. Comprehensive SAR was disclosed and compound I [R¹ = 1-morpholinoethanoe-2-yl] showed excellent potency (IC₅₀ = 11.8 nM), outstanding hydrophilicity (A log P = 3.53), and relatively good kinase selectivity, being a promising lead for further evaluation.

Bioorganic & Medicinal Chemistry published new progress about 844501-00-4. 844501-00-4 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Amide,Boronic Acids,Boronic acid and ester, name is (1-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridin-4-yl)boronic acid, and the molecular formula is C9H6N2O2, COA of Formula: C10H18BNO4.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Zhu, Yinggui published the artcileElectrogenerated chemiluminescence behavior of Tb complex and its application in sensitive sensing Cd²⁺, Safety of Pyridine-3-sulfonic acid, the publication is Electrochimica Acta (2017), 1-8, database is CAplus.

The authors report a novel rare earth metal complex with the weak ligand of aromatic sulfonic acid (pyridine-3-sulfonic acid, 3-pSO₃H), and characterized by FTIR, UV-visible, energy-dispersive x-ray spectroscopy (EDX), electrochemiluminescence spectra, etc. Then an excellent electrochemiluminescence (ECL) signal was observed with K₂S₂O₈ as the coreactant in NaAc-HAc buffer solution For another thing, the electrochem. properties of the compound were thoroughly studied in MeCN solution, the possible ECL reaction mechanism is proposed as well. Also, a simple and straightforward ECL platform is reported for sensitive and selective detection of Cd²⁺ due to the effective quenching after addition of Cd²⁺. Other heavy/transition metal ions do not interfere with the sensing. The limit of detection is determined as 0.13 nM, the results suggested that as-prepared complex could be a promising material for developing ECL sensors to detect the Cd²⁺ rapidly indwell in environmental and practical samples.

Electrochimica Acta published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C38H74Cl2N2O4, Safety of Pyridine-3-sulfonic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Wang, Pengfei published the artcileThe fingerprints of nifedipine/isonicotinamide cocrystal polymorph studied by terahertz time-domain spectroscopy, Name: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is International Journal of Pharmaceutics (Amsterdam, Netherlands) (2022), 121759, database is CAplus and MEDLINE.

Cocrystal is constructed to improve physicochem. properties of active pharmaceutical ingredient and prevent polymorphism via intermol. interactions. However, recent examples on cocrystal polymorphs display significantly different properties. Even though some anal. techniques have been used to characterize the cocrystal polymorphic system, it remains unclear how intermol. interactions drive and stabilize the structure. In this work, we study the cocrystal polymorphs of nifedipine (NFD) and isonicotinamide (INA) using terahertz (THz) spectroscopy. Form I and form II of NFD-INA cocrystals show spectral fingerprints in THz region. Temperature-dependent THz spectra display distinguished frequency shifts of each fingerprint. Combined with solid-state d. functional theory (DFT) calculations, the exptl. fingerprints and their distinct responses to temperature are elucidated by specific collective vibrational modes. The vibrations of hydrogen bonding between dihydropyridine ring of NFD and INA are generally distributed below 1.5 THz, which play important roles in stabilizing cocrystal and preventing the oxidation of NFD. The rotations of Me group in NFD are widely distributed in the range of 1.5-4.0 THz, which helps the steric recognition. The results demonstrate that THz spectroscopy is a sensitive tool to discriminate cocrystal polymorphs. It has the potential to be used as a non-invasive technique for pharmaceutical screening.

International Journal of Pharmaceutics (Amsterdam, Netherlands) published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C19H14Cl2, Name: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Yu, Hao-jie published the artcileResearch on biofilm gel antifouling technology, Computed Properties of 971-66-4, the publication is Xiandai Huagong (2013), 33(4), 87-90, database is CAplus.

The biodegradable antifouling coating and the biodegradable resin synthesized by MCRI are introduced. The biodegradable resin has oligomeric lactic acid as the main structural units containing block structures. The recent progress of biodegradable environment-friendly antifouling paints by MCRI are summarized. The biodegradable/biofilm gel antifouling new technol. is put forward. Its latest research progress is proposed as well.

Xiandai Huagong published new progress about 971-66-4. 971-66-4 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene, name is Triphenyl(pyridin-1-ium-1-yl)borate, and the molecular formula is C7H6O3, Computed Properties of 971-66-4.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem