Day: December 7, 2022

Berger, Olivier published the artcilePhosphorus-Carbon Bond Formation: Palladium-Catalyzed Cross-Coupling of H-Phosphinates and Other P(O)H-Containing Compounds, Computed Properties of 39856-58-1, the publication is Advanced Synthesis & Catalysis (2013), 355(7), 1361-1373, database is CAplus.

Two generally applicable systems were developed for the cross-coupling of P(O)H compounds with C_sp2-X and related partners. Pd catalysis using a ligand/additive combination, typically either xantphos/ethylene glycol or 1,1′-bis(diphenylphosphino)ferrocene/1,2-dimethoxyethane, with diisopropylethylamine as the base, proved to be generally useful for the synthesis of numerous P-C containing compounds E.g., reaction of RP(O)(OEt)H (R = octyl) with 2-bromopyridine in the presence of 2 mol% Pd(OAc)₂/xantphos, toluene and ethylene glycol and (ⁱPr)₂NEt at 115° to give 93% yield of (Oct)P(O)(OEt)(2-pyridyl). Routinely, 2 mol% of catalyst are employed (less than half the amount typically employed in most other literature reports). In most cases, excellent results were obtained with a variety of electrophiles (RX, where R = alkenyl, allyl, alkynyl, etc.). The full account of the studies is disclosed, including tandem hydrophosphinylation/coupling and coupling/coupling for doubly catalytic P-C bond formation. The methodol. compares favorably with any existing literature report. The use of an additive appears to be a generally useful strategy to control the reactivity of phosphinylidene compounds

Advanced Synthesis & Catalysis 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 C5H5BrN2, Computed Properties of 39856-58-1.

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

Fabritius, Charles-Henry published the artcile1-Sulfonyl-6-piperazinyl-7-azaindoles as potent and pseudo-selective 5-HT₆ receptor antagonists, Synthetic Route of 903899-13-8, the publication is Bioorganic & Medicinal Chemistry Letters (2016), 26(11), 2610-2615, database is CAplus and MEDLINE.

A series of 1-sulfonyl-6-piperazinyl-7-azaindoles, showing strong antagonistic activity to 5-HT₆ receptor (5-HT₆R) was synthesized and characterized. The series was optimized to reduce activity on D₂ receptor. Based on the selectivity against this off-target and the anal. of the ADME-tox profile, compound 1c was selected for in vivo efficacy assessment, which demonstrated procognitive effects as shown in reversal of scopolamine induced amnesia in an elevated plus maze test in mice. Compound 3, the demethylated version of compound 1c, was profiled against a panel of 106 receptors, channels and transporters, indicating only D₃ receptor as a major off-target. Compound 3 has been selected for this study over compound 1c because of the higher 5-HT₆R/D₂R binding ratio. These results have defined a new direction for the design of our pseudo-selective 5-HT₆R antagonists.

Bioorganic & Medicinal Chemistry Letters 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 C5H6BNO3, Synthetic Route of 903899-13-8.

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

Greenwood, Norman N. published the artcileProperties and thermochemistry of complexes of pyridine with triphenyl-boron, -aluminum, -gallium, and -indium, and diphenylgallium chloride, Recommanded Product: Triphenyl(pyridin-1-ium-1-yl)borate, the publication is Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical (1969), 249-53, database is CAplus.

Pyridine reacts with crystalline Ph3B, Ph3Al, Ph3Ga, Ph3In, and Ph2GaCl to give white 1:1 complexes which are monomeric in benzene solution The melting points and heats of formation of the solid adducts from liquid pyridine and crystalline acceptors are: Ph3B. py, 240°, 17.9 kcal. mole-1; Ph3Al.py, 168°, 22.3 kcal. mole-1; Ph3Ga.py, 167°, 19.5 kcal. mole-1; Ph3In.py, 130°, 13.9 kcal. mole-1; Ph2GaCl.py, 18.0 kcal. mole.-1 The problems attending the estimation of gas-phase heats of formation and the calculation of reorganization energies are discussed and the results compared with those available on other Group III acceptors.

Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical 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 C23H20BN, Recommanded Product: Triphenyl(pyridin-1-ium-1-yl)borate.

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

Azizollahi, Hamid published the artcileSynthesis of [3.4]-Spirooxindoles through Cascade Carbopalladation of Skipped Dienes, Recommanded Product: 2-Bromopyridin-3-amine, the publication is Advanced Synthesis & Catalysis (2020), 362(9), 1899-1904, database is CAplus.

A synthetic route to [3.4]-spirooxindoles based on cascade carbopalladation reactions of 1,4-dienes was described. While carbopalladation of alkenes have been used to access mainly [4.4]- or [4.5]-spirocycles, 4-exo-trig carbopalladation was not been yet applied to the synthesis of relevant [3.4]-spirooxindole scaffolds bearing a cyclobutyl ring. In addition, the cascade reaction generates an exocyclic double bond that can serve as a platform to further diversify the substitution pattern of the spirooxindole nuclei.

Advanced Synthesis & Catalysis 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 C5H5BrN2, Recommanded Product: 2-Bromopyridin-3-amine.

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

Louw, Stefan published the artcileSerial coupling of reversed-phase and hydrophilic interaction liquid chromatography to broaden the elution window for the analysis of pharmaceutical compounds, Application In Synthesis of 18437-58-6, the publication is Journal of Chromatography A (2008), 1208(1-2), 90-94, database is CAplus and MEDLINE.

It is presently a common practice in drug discovery to analyze samples by reversed-phase liquid chromatog. (RPLC) and hydrophilic interaction chromatog. (HILIC). To increase throughput, HILIC was connected in series to RPLC by a T-piece with make-up flow. The first column is a 2 mm I.D. column having an optimal flow between 0.1 and 0.2 mL/min. Via the T-piece, the flow for the second dimension column with an I.D. of 4.6 mm is adjusted to 1.5-2.0 mL/min with a high acetonitrile content (i.e. �0%) mobile phase. Therefore, even in gradient RPLC anal. starting with a mobile phase with high water content, the HILIC column is always operated at high acetonitrile concentration which is required to obtain retention on the HILIC column. The performance of the hyphenated RPLC/HILIC set-up is illustrated with the anal. of 2 model samples of pharmaceutical interest. Optimization of the conditions in the HILIC dimension is discussed.

Journal of Chromatography A published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Application In Synthesis of 18437-58-6.

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

Shan, Zhenwei published the artcileDiscovery of potent dipeptidyl peptidase IV inhibitors derived from β-aminoamides bearing substituted [1,2,3]-triazolopiperidines for the treatment of type 2 diabetes, Product Details of C5H6BNO2, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(6), 1731-1735, database is CAplus and MEDLINE.

A series of novel [1,2,3]-triazolopiperidine derivatives I (R = H, Me, CHF₂, CF₃, CO₂Me, CONH₂, CONMe₂, Ph, 4-F-C₆H₄, 4-Cl-C₆H₄, 4-CF₃-C₆H₄, 4-CN-C₆H₄, 3-CO₂Me-C₆H₄, 4-CONH₂-C₆H₄, 4-CONMe₂-C₆H₄,4-CO₂H-C₆H₄, 4-SO₂Me-C₆H₄, 4-Pyr, 2-Pyr, 2-furanyl, 3-furanyl, 2-thienyl, 3-thienyl, 4-oxazolyl) were synthesized and evaluated as inhibitors of dipeptidyl peptidase IV (DPP-4) for the treatment of type 2 diabetes, most of the compounds exhibited excellent in vitro potency (IC₅₀ <50 nM) against DPP-4. Among these, compound I (R = CF₃) with potent in vitro activity against DPP-4 and good pharmacokinetic profiles exhibited pronounced in vivo efficacy in an oral glucose tolerance test (OGTT) in ICR mice. On the base of these properties, compound I (R = CF₃) was selected as a potential new candidate for the treatment of type 2 diabetes.

Bioorganic & Medicinal Chemistry Letters 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 C15H23BO2, Product Details of C5H6BNO2.

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

Lease, Nicholas published the artcilePNP-Pincer Complexes of Osmium: Comparison with Isoelectronic (PCP)Ir and (PNP)Ir⁺ Units, SDS of cas: 338800-13-8, the publication is Organometallics (2018), 37(3), 314-326, database is CAplus.

Several complexes of (^tBu4PNP)Os (1, ^tBu4PNP = C₅NH₃-2,6-(CH₂P^tBu₂)₂) are reported. 1 Is isoelectronic with (^tBu4PCP)Ir (2, (^tBu4PCP)Ir = κ³-C₆H₃-2,6-(CH₂P^tBu₂)₂) which has played a leading role in homogeneous catalytic alkane dehydrogenation; the (^tBu4PNP)Os complexes were studied in this context. (^tBu4PNP)OsH₄ (1-H4) is analogous to (^tBu4PCP)IrH₄ (2-H4), but while 2-H4 has some character of a dihydrogen dihydride, 1-H4 is unambiguously a tetrahydride. Ethylene reacts with 1-H4 to afford trans-(^tBu4PNP)OsH₂(C₂H₄) (1-H₂(C₂H₄)). At 25°, 1-H₂(C₂H₄) readily undergoes reversible ethylene insertion into an Os-H bond to yield (^tBu4PNP)OsH(C₂H₅) (1-EtH). DFT calculations indicate that alkane C-H addition to 1 is thermodynamically much more favorable than addition to 2. The favorable thermodn. of 1-(alkyl)H, however, disfavor reductive elimination and formation of the free Os(0) fragment that is required for a catalytic cycle analogous to that reported for 2. C-H or H-H addition to 1 is much more favorable than to 2; this would typically be attributed to the lower oxidation state of 1. However, H₂ addition to the isoelectronic [(^tBu4PNP)Ir(I)]⁺ cation is even more favorable than addition to 1; thus the thermodn. differences result from the difference of the pincer ligand (PNP vs. PCP) rather than the different metal centers (Os(0) vs. Ir(I)). Although H₂ addition to Ir(I) is as favorable as addition to Os(0), addition of a 2nd mol. of H₂ (to give tetrahydrides) is much more favorable for (^tBu4PNP)Os. NBO anal. indicates that the MH₂/MH₄ additions are oxidative whereas the M/MH₂ transformations are reductive.

Organometallics published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C23H43NP2, SDS of cas: 338800-13-8.

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

Wang, Chunting published the artcileDiscovery of (1H-Pyrazolo[3,4-c]pyridin-5-yl)sulfonamide Analogues as Hepatitis B Virus Capsid Assembly Modulators by Conformation Constraint, HPLC of Formula: 18437-58-6, the publication is Journal of Medicinal Chemistry (2020), 63(11), 6066-6089, database is CAplus and MEDLINE.

Hepatitis B virus (HBV) capsid assembly modulators (CAMs) have been suggested to be effective anti-HBV agents in both preclin. and clin. studies. In addition to blocking HBV replication, CAMs could reduce the formation of covalently closed circular DNA (cccDNA), which accounts for the persistence of HBV infection. Here, we describe the discovery of (1H-indazole-5-yl)sulfonamides and (1H-pyrazolo[3,4-c]pyridin-5-yl)sulfonamides as new CAM chemotypes by constraining the conformation of the sulfamoylbenzamide derivatives Lead optimization resulted in compound 56 with an EC₅₀ value of 0.034μM and good metabolic stability in mouse liver microsomes. To increase the solubility, the amino acid prodrug (65) and its citric acid salt (67) were prepared Compound 67 dose dependently inhibited HBV replication in a hydrodynamic injection-based mouse model of HBV infection, while 56 did not show in vivo anti-HBV activity, likely owing to its suboptimal solubility This class of compounds may serve as a starting point to develop novel anti-HBV drugs.

Journal of Medicinal Chemistry published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C11H16BNO3, HPLC of Formula: 18437-58-6.

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

Xiong, Zhihui published the artcileFour kinds of tocolytic therapy for preterm delivery: Systematic review and network meta-analysis, Formula: C17H18N2O6, the publication is Journal of Clinical Pharmacy and Therapeutics (2022), 47(7), 1036-1048, database is CAplus and MEDLINE.

Meta-anal. of premature birth affects more than 15 million infants, as well as mothers and families around the world. With the relaxation of the two-child policy, the problem of premature birth has become relatively prominent in China. According to statistics, China had a birth population of 15.23 million in 2018, with a considerably large number of premature births. This study aims to evaluate the efficacy and safety of tocolysis in the treatment of preterm delivery, provide clin. evidence for medical staff and promote the self-management of patients with premature births. Four English databases (PubMed, Embase, Cochrane Library and Web of Science) were retrieved by computer, the retrieval time was from the establishment of each database to Nov. 2021, and the randomized controlled trials for the treatment of preterm delivery were screened according to the pre-set natriuretic exclusion criteria. After literature screening, data selection and risk of bias evaluation were independently conducted by two researchers. R 4.1.1 and Stata 17.0 software were used for statistical anal. A total of 44 RCTs were included, including 6939 patients. The results of network meta-anal. reveal that in terms of effectiveness, indomethacin was the most effective intervention measure, followed by nifedipine, and the difference was statistically significant; regarding safety, nifedipine was the safest intervention measure, followed by indomethacin, and the difference was statistically significant; and in respect of adverse reactions, ritodrine had the highest probability, and the difference was statistically significant. Nifedipine may be better for delayed delivery and less likely to produce adverse pregnancy outcomes, followed by indomethacin. Limited by the number and quality of recipient studies, the aforementioned conclusions need to be verified through more high-quality studies. At the same time, the focus should be on patients with twin pregnancy and patients with clin. manifestations of extreme preterm delivery.

Journal of Clinical Pharmacy and Therapeutics 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 C7H13NO2, Formula: C17H18N2O6.

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

Fu, Chengxiao published the artcilePopulation Pharmacokinetic Modelling for Nifedipine to Evaluate the Effect of Parathyroid Hormone on CYP3A in Patients with Chronic Kidney Disease., Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is Drug design, development and therapy (2022), 2261-2274, database is MEDLINE.

Purpose: Parathyroid hormone (PTH) can induce the downregulation of CYP3A in chronic kidney disease (CKD). Nevertheless, the effect of PTH on CYP3A-mediated clearance pathways from a clinical perspective remains unclear. Methods: This study employed population pharmacokinetic (PopPK) modeling to delineate potential changes in CYP3A activity in patients with CKD. Pharmacokinetic data for nifedipine, a typical CYP3A substrate, as well as covariate information, were prospectively collected from 157 patients with a total of 612 concentrations. PopPK data analysis was performed using a nonlinear mixed-effects model. Results: The pharmacokinetics of nifedipine were optimally described according to a one-compartment model with zero-order absorption and first-order elimination. The estimated population parameters (and interindividual variability) were apparent clearance (CL/F) 49.61 L/h (58.33%) and apparent volume of distribution (V/F) 2300.26 L (45.62%), and the PTH level negatively correlated with CL/F. In comparison with the reference level, it was observed that the dosage of nifedipine should be reduced with the maximum boundary value of PTH, after a Monte Carlo simulation. Conclusion: This study provides insight into the effects of PTH on CYP3A-mediated clearance pathways. Moreover, PTH could be used as a guide for the appropriate administration of CYP3A eliminated drugs in patients with CKD.

Drug design, development and therapy 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 C17H18N2O6, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

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