Author: Jessica.F

Beebi, Sk. published the artcileInvestigation of molecular interactions in binary mixture of dimethyl carbonate + N-methylformamide at T = (303.15, 308.15, 313.15 and 318.15) K – Thermo-physical and spectroscopic study, Recommanded Product: N-Methylformamide, the main research area is dimethyl carbonate methylformamide hydrogen bonding mol interaction.

D. (ρ) and speed of sound (u) of binary liquid mixtures of di-Me carbonate and N-methylformamide have been determined at T = (303.15, 308.15, 313.15 and 318.15) K over the entire composition range. Exptl. data are used to evaluate excess values of molar volume (VEm), isentropic compressibility (kEs), isothermal compressibility (kET), intermol. free length (LEf), acoustic impedance (ZE) and ultrasonic speed (uE). The VE data in the present investigation were analyzed by using Prigogine-Flory-Patterson (PFP) theory. Partial and excess partial molar volumes (V̅m,1, V̅m,2), (V̅Em,1, V̅Em,2) and partial and excess partial molar volume of the components at infinite dilution (V̅8m,1, V̅8m,2), (V̅E,8m,1, V̅E,8m,2) at T = (303.15, 308.15, 313.15, 318.15) K have been calculated The excess/deviation properties were fitted to Redlich-Kister equation to obtain their coefficients and standard deviations. The present investigation also comprises the acoustic nonlinearity parameter (B/A) in the mixtures and calculation of cohesive energy ΔA, Van der Wall’s constants (a, b) and distance of closest approach (d). Moreover, various semi-empirical relations of ultrasonic speed have been used to correlate the theor. velocities. FT-IR spectra of pure components and their binaries have been measured at T = 298.15 K.

Journal of Thermal Analysis and Calorimetry published new progress about Binary mixtures. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Yang, Wu published the artcileDiscovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species, Product Details of C4H11NOS, the main research area is FXIa inhibitors antithrombotic therapy SAR pharmacokinetics oral bioavailability hemostasis.

Oral factor XIa (FXIa) inhibitors may provide a promising new antithrombotic therapy with an improved benefit to bleeding risk profile over existing antithrombotic agents. Herein, we report application of a previously disclosed cyclic carbamate P1 linker which provided improved oral bioavailability in the imidazole-based 13-membered macrocycle to the 12-membered macrocycle. This resulted in identification of compound 4 with desired FXIa inhibitory potency and good oral bioavailability but high in vivo clearance. Further structure-activity relationship (SAR) studies of heterocyclic core modifications to replace the imidazole core as well as various linkers to the P1 group led to the discovery of compound 6f(I), a potent FXIa inhibitor with selectivity against most of the relevant serine proteases. Compound 6f also demonstrated excellent pharmacokinetics (PK) profile (high oral bioavailability and low clearance) in multiple preclin. species. Compound 6f achieved robust antithrombotic efficacy in a rabbit efficacy model at doses which preserved hemostasis.

Journal of Medicinal Chemistry published new progress about Antithrombotics. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Product Details of C4H11NOS.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Li, James J. published the artcileDiscovery of Potent and Muscle Selective Androgen Receptor Modulators through Scaffold Modifications, HPLC of Formula: 125328-80-5, the main research area is pyrroloimidazolidinone hydroxy preparation muscle selective androgen receptor modulator.

A novel series of imidazolin-2-ones was designed and synthesized as highly potent, orally active and muscle selective androgen receptor modulators (SARMs), with most of the compounds exhibiting low nM in vitro potency in androgen receptor (AR) binding and functional assays. Once daily oral treatment with the lead compound I (AR Ki = 0.9 nM, EC50 = 1.8 nM) for 14 days induced muscle growth with an ED50 of 0.09 mg/kg, providing approx. 50-fold selectivity over prostate growth in an orchidectomized rat model. Pharmacokinetic studies in rats demonstrated that the compound I had oral bioavailability of 65% and a plasma half-life of 5.5 h. On the basis of their preclin. profiles, the SARMs in this series are expected to provide beneficial anabolic effects on muscle with minimal androgenic effects on prostate tissue.

Journal of Medicinal Chemistry published new progress about Anabolic agents. 125328-80-5 belongs to class amides-buliding-blocks, name is N-(4-Bromo-3-chloro-2-methylphenyl)acetamide, and the molecular formula is C9H9BrClNO, HPLC of Formula: 125328-80-5.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Grunewald, Gary L. published the artcileApplication of the Goldilocks Effect to the Design of Potent and Selective Inhibitors of Phenylethanolamine N-Methyltransferase: Balancing pKa and Steric Effects in the Optimization of 3-Methyl-1,2,3,4-tetrahydroisoquinoline Inhibitors by β-Fluorination, Related Products of amides-buliding-blocks, the main research area is tetrahydroisoquinoline SAR preparation THIQ adrenoceptor PNMT.

3-Methyl-1,2,3,4-tetrahydroisoquinolines (3-methyl-THIQs) are potent inhibitors of phenylethanolamine N-methyltransferase (PNMT), but are not selective due to significant affinity for the α2-adrenoceptor. Fluorination of the Me group lowers the pKa of the THIQ amine from 9.53 (CH3) to 7.88 (CH2F), 6.42 (CHF2), and 4.88 (CF3). This decrease in pKa results in a reduction in affinity for the α2-adrenoceptor. However, increased fluorination also results in a reduction in PNMT inhibitory potency, apparently due to steric and electrostatic factors. Biochem. evaluation of a series of 3-fluoromethyl-THIQs and 3-trifluoromethyl-THIQs showed that the former were highly potent inhibitors of PNMT, but were often nonselective due to significant affinity for the α2-adrenoceptor, while the latter were devoid of α2-adrenoceptor affinity, but also lost potency at PNMT. 3-Difluoromethyl-7-substituted-THIQs have the proper balance of both steric and pKa properties and thus have enhanced selectivity vs. the corresponding 3-fluoromethyl-7-substituted-THIQs and enhanced PNMT inhibitory potency vs. the corresponding 3-trifluoromethyl-7-substituted-THIQs. Using the “”Goldilocks Effect”” analogy, the 3-fluoromethyl-THIQs are too potent (too hot) at the α2-adrenoceptor and the 3-trifluoromethyl-THIQs are not potent enough (too cold) at PNMT, but the 3-difluoromethyl-THIQs are just right. They are both potent inhibitors of PNMT and highly selective due to low affinity for the α2-adrenoceptor. This seems to be the first successful use of the β-fluorination of aliphatic amines to impart selectivity to a pharmacol. agent while maintaining potency at the site of interest.

Journal of Medicinal Chemistry published new progress about Pharmacokinetics. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Related Products of amides-buliding-blocks.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Guan, Aocong published the artcileSolubility of Phthalic Acid and o-Toluic Acid in Seven Organic Solvents: Experimental Measurement and Thermodynamic Modeling, Formula: C2H5NO, the main research area is solubility phthalic acid toluic acid organic solvent.

In this study, the solubility of phthalic acid and o-toluic acid in propionic acid, N-methylformamide, N,N-dimethylformamide (DMF), N,N-dimethylacetamide (DMAC), DMSO, N-methylpyrrolidone (NMP), and acetonitrile are measured under atm. pressure (101.3 kPa) by the method of laser dynamics. The exptl. temperature range is 286.35 to 338.75 K. The measured data shows that the solubility of phthalic acid and o-toluic acid increases with increasing temperature in the temperature range studied. The exptl. data are correlated by the Apelblat model, the λh model, and the modified nonrandom two liquid activity coefficient model, and the calculated solubility is in agreement satisfactorily with the measured results. Akaike information criterion anal. results show that the Apelblat model was the most suitable model to correlate the solubility of phthalic acid in propionic acid, N-methylformamide, and DMSO and the solubility of o-toluic acid in propionic acid, DMSO, and NMP; the λh model was the most suitable model to correlate the solubility of phthalic acid in DMF and DMAC and the solubility of o-toluic acid in N-methylformamide and DMF; and the modified NRTL model was the most suitable model to correlate the solubility of phthalic acid in NMP and acetonitrile and the solubility of o-toluic acid in DMAC and acetonitrile.

Journal of Chemical & Engineering Data published new progress about Organic solvents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Yousefinejad, Saeed published the artcileStructure-electrochemistry relationship for monovalent alkaline metals in non-aqueous solutions, SDS of cas: 123-39-7, the main research area is structure electrochem relationship monovalent alkanic metal non aqeous solution.

Electrochem. methods, which deal with the interrelation of chem. and elec. properties, are interesting because of numerous advantages. Here, the electrochem. behavior of three important single-at. metallic monovalent ions (Li+, Na+, K+) were modelled in some organic solvents based on quant. structure electrochem. relationships. Because the inorganic ions have not mol. structure, only structural information of organic solvents was involved in the model. Q2 of cross validation were 0.95, 0.88 and 0.82 in lithium, sodium and potassium models, resp., and the R2test were 0.97, 0.89 and 0.93 in lithium, sodium and potassium models, resp. Various validation approaches were used to evaluate the proposed linear models. The results not only are useful for the prediction and estimation of the voltammetric behavior of the studied cations but also give a way to descript the important features of the utilized organic solvents on the half wave potential of lithium, sodium and potassium.

Physics and Chemistry of Liquids published new progress about Electrochemistry. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, SDS of cas: 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Gonzalez-Castro, Raul A. published the artcileEffects of extender, cryoprotectants and thawing protocol on motility of frozen-thawed stallion sperm that were refrozen for intracytoplasmic sperm injection doses, Recommanded Product: N-Methylformamide, the main research area is intracytoplasmic sperm injection refrozen glycerol methylformamide cryopreservation extender; Cryoprotectant; Freezing; Refreezing; Sperm; Stallion; Thawing.

We examined the effects of different freezing extenders, cryoprotectant agents (CPA) and initial thawing temperatures for preparing doses of refrozen stallion sperm for intracytoplasmic sperm injection (ICSI). Single ejaculates, from twelve stallions, were frozen in lactose-EDTA-egg yolk extender (LE) with 5% glycerol. In experiment 1, sperm were initially thawed to 5°C or 37°C, before being diluted in LE or skim milk-egg yolk extender (SMEY) containing either 5% glycerol (GLY), 5% methylformamide (MF) or 5% of a combination of both (GMF). In experiment 2, frozen sperm were initially thawed to 5°C, diluted and refrozen in SMEY containing 2, 4, 6 or 8% GLY or GMF. In Experiment 1, sperm motility was reduced after each cryopreservation cycle (P < 0.05). Extender type did not affect motility after refreezing (P > 0.05), but sperm initially thawed to 5°C exhibited higher motility than sperm thawed to 37°C (P < 0.05). In addition, sperm refrozen in SMEY containing MF or GMF exhibited higher motility than sperm refrozen in GLY alone (P < 0.05). In experiment 2, there was an interaction between CPA and CPA concentration (P < 0.05). Sperm refrozen with GMF had higher motility than refrozen sperm with GLY (P < 0.05), and while GLY concentration did not affect post-thaw motility (P > 0.05). Sperm refrozen with 6 or 8% GMF exhibited the highest motility (P < 0.05). In conclusion, sperm motility is best maintained when thawing and refreezing stallion sperm in low sperm concentration ICSI doses by initially thawing the sperm to 5°C and diluting the sperm in a freezing extender with 8% GMF. Theriogenology published new progress about Cryopreservation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Gslamoglu, Fatih published the artcileCalculation of thermodynamic properties of the most important forty-seven different solvents to create an information data bank through semi-empirical quantum methods used in determination of theoretical pKa, Computed Properties of 123-39-7, the main research area is solvent data bank semi empirical quantum method thermodn.

In this study, we have calculated the thermodn. properties, especially in determining the theor. acidic properties and pKa values of organic compounds, as enthalpy (ΔH, kcal/mol), heat capacity (C, cal/Kmol), entropy (ΔS, cal/Kmol), and free energy (ΔG kcal/mol) of 47 different solvents with the MOPAC 2016 computer program at 298 K used in semi-empirical quantum methods (PM7, PM6, PM6-DH2, RM1, PM3, AM1, and MNDO). Evaluations are made between these values and the used methods. At the same time, a data bank is created with obtained values for the researchers who will do scientific study for the theor. pKa.

Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry published new progress about Computer program. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Computed Properties of 123-39-7.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Meischner, M. published the artcileSoil VOC emissions of a Mediterranean woodland are sensitive to shrub invasion, Name: N-Methylformamide, the main research area is Cistus Quercus soil VOC acetaldehyde acetone methanol; Cistus ladanifer ; Quercus suber ; PTR-TOF-MS; Soil VOCs; litter; soil moisture; soil respiration.

Many belowground processes, such as soil respiration and soil-atm. VOC (volatile organic compounds) exchange, are closely linked to soil microbiol. processes. However, little is known about how changes in plant species cover, i.e. after plant invasion, alter these soil processes. In particular, the response of soil VOC emissions to plant invasion is not well understood. We analyzed soil VOC emissions and soil respiration of a Mediterranean cork oak (Quercus suber) ecosystem, comparing soil VOC emissions from a non-invaded Q. suber woodland to one invaded by the shrub Cistus ladanifer. Soil VOC emissions were determined under controlled conditions using online proton-transfer time-of-flight mass spectrometry. Net soil VOC emissions were measured by exposing soils with or without litter to different temperature and soil moisture conditions. Soil VOC emissions were sensitive to C. ladanifer invasion. Highest net emission rates were determined for oxygenated VOC (acetaldehyde, acetone, methanol, acetic acid), and high temperatures enhanced total VOC emissions. Invasion affected the relative contribution of various VOC. Methanol and acetaldehyde were emitted exclusively from litter and were associated with the non-invaded sites. In contrast, acetone emissions increased in response to shrub presence. Interestingly, low soil moisture enhanced the effect of shrub invasion on VOC emissions. Our results indicate that shrub invasion substantially influences important belowground processes in cork oak ecosystems, in particular soil VOC emissions. High soil moisture is suggested to diminish the invasion effect through a moisture-induced increase in microbial decomposition rates of soil VOC.

Plant Biology (Berlin, Germany) published new progress about Cistus ladanifer. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Zhu, Yijun published the artcileA novel and efficient asymmetric synthesis of anti-HIV drug maraviroc, Computed Properties of 343338-28-3, the main research area is maraviroc antiHIV drug preparation enantioselective.

A novel and efficient route to asym. synthesis of maraviroc by using (S)-tert-butanesulfinamide as chiral auxiliary is described. Two interesting impurities of the process are isolated and identified. The synthesis was concise, mild, and easy to operate. The overall yield and stereoselectivity were excellent.

Synthetic Communications published new progress about Chiral auxiliary. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Computed Properties of 343338-28-3.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics