Month: November 2022

Teuscher, Kevin B. published the artcileDiscovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization, Name: (S)-2-Methylpropane-2-sulfinamide, the main research area is cancers WDR5 WIN site inhibitor selectivity pharmacokinetic antiproliferative bioavailability.

WD repeat domain 5 (WDR5) is a nuclear scaffolding protein that forms many biol. important multiprotein complexes. The WIN site of WDR5 represents a promising pharmacol. target in a variety of human cancers. Here, we describe the optimization of our initial WDR5 WIN-site inhibitor using a structure-guided pharmacophore-based convergent strategy to improve its druglike properties and pharmacokinetic profile. The core of the previous lead remained constant while a focused SAR effort on the three pharmacophore units was combined to generate a new in vivo lead series. Importantly, this new series of compounds has picomolar binding affinity, improved cellular antiproliferative activity and selectivity, and increased kinetic aqueous solubility They also exhibit a desirable oral pharmacokinetic profile with manageable i.v. clearance and high oral bioavailability. Thus, these new leads including compound 41 (I), are useful probes toward studying the effects of WDR5 inhibition.

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

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

Gao, Jianhong published the artcileTotal Synthesis of (+)-Jatrophalactam, Quality Control of 343338-28-3, the main research area is asym total synthesis of jatrophalactam absolute configuration determination; conformationally controlled cyclopropanation asym total synthesis of jatrophalactam; Meldrums acid macrolactam formation asym total synthesis of jatrophalactam; palladium oxidative cyclization asym total synthesis of jatrophalactam.

The first asym. total synthesis of (+)-jatrophalactam was reported, which unambiguously determined the absolute configuration of the titled natural product. The key features entail a conformationally controlled cyclopropanation, a Meldrum’s acid adduct-engaged macrolactam formation, and a Pd(II)-mediated oxidative cyclization.

Organic Letters published new progress about Absolute configuration. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, Quality Control of 343338-28-3.

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

Kutateladze, Dennis A. published the artcileEnantioselective Tail-to-Head Cyclizations Catalyzed by Dual-Hydrogen-Bond Donors, HPLC of Formula: 343338-28-3, the main research area is enantioselective cyclization dual hydrogen bond donor catalyst urea; neryl chloride analog.

Chiral urea derivatives are shown to catalyze enantioselective tail-to-head cyclization reactions of neryl chloride analogs. Exptl. data are consistent with a mechanism in which π-participation by the nucleophilic olefin facilitates chloride ionization and thereby circumvents simple elimination pathways. Kinetic and computational studies support a cooperative mode of catalysis wherein two mols. of the urea catalyst engage the substrate and induce enantioselectivity through selective transition state stabilization.

Journal of the American Chemical Society published new progress about Absolute configuration. 343338-28-3 belongs to class amides-buliding-blocks, name is (S)-2-Methylpropane-2-sulfinamide, and the molecular formula is C4H11NOS, HPLC of Formula: 343338-28-3.

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

Bala, D. published the artcileStudy on Thermodynamic and Transport Properties of Binary Liquid Mixtures (N-Methylformamide with Aniline, N-Methylaniline, and N,N-Dimethylaniline) at Various Temperatures, Formula: C2H5NO, the main research area is thermodn transport property binary liquid mixture Nmethylformamide aniline; Nmethylaniline NNdimethylaniline temperature.

Densities (ρ), speeds of sound (u), and viscosities (η) of binary mixtures of N-methylformamide (N-MF) with aniline (A), N-methylaniline (N-MA), and N, N-dimethylaniline (N, N-DMA) including those of pure liquids, over the entire composition range were measured at temperatures (303.15, 308.15, and 313.15 K) and 0.1 MPa. Using the exptl. data, the excess volume (VE), excess isentropic compressibility (κEs), deviation in viscosity (δη), excess partial molar volumes, [V-Em, 1] and [V-Em, 2], and excess partial molar isentropic compressibilities, [K-Es, m, 1] and [K-Es, m, 2] of the components at infinite dilution were calculated The VE results have been analyzed in the terms of Prigogine-Flory-Patterson theory. An anal. of each of the three contributions viz. interactional, free volume and P* to VE shows that free volume effects are neg. for all the binary mixtures FT-IR (Fourier transform IR spectroscopy) properties have been carried out to study the specific interaction such as formation of hydrogen bond between unlike mols. in the binary liquid mixtures; a good agreement is observed among the excess parameters and FT-IR spectroscopic properties.

Russian Journal of Physical Chemistry A published new progress about Binary mixtures, liquid. 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

Warminska, Dorota published the artcileThermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach, Computed Properties of 123-39-7, the main research area is triethyl phosphate methylformamide dimethylacetamide binary mixture thermophys excess property.

Densities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of tri-Et phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the exptl. data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy of activation for viscous flow have been calculated These results were fitted to the Redlich-Kister-type polynomial equation. The viscosity deviations and the excess Gibbs energy were found to be pos. for the all systems investigated, while the excess volumes and the excess isentropic compressibilities were neg. for TEP + DMA and for TEP + DMF systems, and pos. for mixtures TEP + NMF. These results were interpreted based on the strength of the specific interaction, size and shape of mols. Mol. dynamics simulations were used to provide a detailed explanation of the differences between the TEP + NMF and other systems, which were ultimately traced to strong hydrogen bonding between NMF and TEP.

Journal of Molecular Liquids published new progress about Binary mixtures, liquid. 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

Kalimulla, T. published the artcileUltrasonic investigations in binary liquid mixtures of 2-methylcyclohexanone with formamide, n-methylformamide and N,N-dimethylformamide at different temperatures., Synthetic Route of 123-39-7, the main research area is methylcyclohexanone formamide methylformamide DMF ultrasonic investigation binary liquid mixture.

Ultrasonic velocity(U), viscosity (η) and d. (ρ) of binary liquid mixtures 2-methylcyclohexanone with formamide, N-Methylformamide and N,N-Dimethylformamide have been measured at three temperatures 303.15,308.15 and 313.15 K, over the entire composition range. These exptl. data have been used to calculated the excess isentropic compressibility (KsE), excess enthalpy (HE), excess free length (LfE), excess Gibb’s free energy (ΔG*E) and excess molar volume (VmE). The excess values have been fitted to the Redlich-Kister type polynomial equation. The deviations of excess values provide valuable information that allows us to have a better understanding of the structure of liquids and intermol. interactions in liquid mixtures The results of these observations have been interpreted in terms of structural effects of the solvents. Further the exptl. and derived results are analyzed in terms of structural mol. interactions between component mols. with FT-IR spectral studies.

Journal of Pharmaceutical Sciences and Research published new progress about Binary mixtures, liquid. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

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

ShaikBabu, K. Govinda Raoand published the artcileAcoustic properties of binary liquid mixtures containing N-methyl formamide with anilines at different temperatures, Recommanded Product: N-Methylformamide, the main research area is methylformamide aniline binary liquid mixture acoustic parameter.

Densities (ρ), viscosity (η) and speed of sound (U) values for the liquid mixture systems of N-Methylformamide with Aniline, N-methylaniline and N,N-Dimethylanilinealong with those of pure liquids were measured over the entire mole fraction range at T = 303.15 K, 308.15 K and 313.15 K. From these exptl. determined values, various acoustic parameters such as excess isentropic compressibility (KsE), excess molar volume (VE) and excess free length (LfE), excess Gibb’s free energy (ΔG*E) and excess enthalpy (HE) have been calculated The excess functions have been fitted to the Redlich-Kister type polynomial equation. The presenceofintermol. interactions in these liquid mixtures was confirmed by studying the deviations observed in the excess parameters.

Rasayan Journal of Chemistry published new progress about Binary mixtures, liquid. 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

Nagarjuna, A. published the artcileMolecular interactions in binary liquid mixtures containing benzyl benzoate, Recommanded Product: N-Methylformamide, the main research area is benzyl benzoate amide binary liquid mixture mol interaction.

Speeds of sound, densities and viscosities of the binary mixture of Benzyl benzoate with mole fractions of amides – Formamide (FA), N-Me formamide (NMF) and Di Me formamide (DMF) have been estimated utilizing the standard strategies at 303.15, 308.15 and 313.15K. From these deliberate values, different thermo-dynamic parameters such as isentropic compressibility (Ks), intermol. free length (Lf), molar volume (Vm), Gibbs free energy (ΔG), enthalpy (H) and their excess properties were determined The figured qualities have been fitted to the Redlich-Kister type polynomial condition utilizing least squares technique to assess the twofold coefficients and standard deviations.

Rasayan Journal of Chemistry published new progress about Binary mixtures, liquid. 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

Piveteau, Laura published the artcileColloidal-ALD-Grown Core/Shell CdSe/CdS Nanoplatelets as Seen by DNP Enhanced PASS-PIETA NMR Spectroscopy, Name: N-Methylformamide, the main research area is colloidal ALD core shell cadmium selenide sulfide nanoplatelet NMR; PASS−PIETA; c-ALD; dynamic nuclear polarization; nanocrystals; nanoplatelets; solid-state NMR.

Ligand exchange and CdS shell growth onto colloidal CdSe nanoplatelets (NPLs) using colloidal at. layer deposition (c-ALD) were investigated by solid-state NMR experiments, in particular dynamic nuclear polarization (DNP) enhanced phase adjusted spinning sidebands – phase incremented echo-train acquisition (PASS-PIETA). The improved sensitivity and resolution of DNP enhanced PASS-PIETA permits identification and study of the core, shell and surface species of CdSe and CdSe/CdS core/shell NPLs heterostructures at all stages of c-ALD. The cadmium chem. shielding was found to be proportionally dependent on the number and nature of coordinating chalcogen-based ligands. DFT calculations permitted to sep. the 111/113Cd chem. shielding into its different components, revealing that the varying strength of paramagnetic and spin-orbit shielding contributions are responsible for the chem. shielding trend of cadmium chalcogenides. Overall, this study points to roughening and increased chem. disorder at the surface during the shell growth process, which is not readily captured by the conventional characterization tools such as electron microscopy.

Nano Letters published new progress about Atomic layer deposition. 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

Sheng, Tao published the artcileDiscovery and preliminary mechanism of 1-carbamoyl β-carbolines as new antifungal candidates, Application In Synthesis of 123-39-7, the main research area is carbamoyl carboline preparation antifungal activity docking study SAR; Action mechanism; Antifungal activities; Gaeumannomyces graminis; Histone acetylation; β-Carboline.

Various 1-substituted β-carbolines I (R1 = CH3, C6H5, 4-BrC6H4, etc.), II (R2 = C6H5, CONH2, CONHC6H5, etc.), III (R3 = Me, Ph, OH, etc.) and IV (R4 = Me, Ph, 2-pyridyl, etc.) were synthesized from com. inexpensive tryptophan and demonstrated significant in vitro antifungal activity against G. graminis. Significantly, compound II (R2 = CONH2) (EC50 = 0.45μM) with carboxamide at 1-position displayed the best efficacy and nearly 20 folds enhancement in antifungal potential compared to Silthiopham (EC50 = 8.95μM). Moreover, compounds 4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxamide, 9H-pyrido [3,4-b]indole-1-carboxamide, and II (R2 = CO2Me) exhibited excellent in vitro antifungal activities and in vivo protective and curative activities against B. cinerea and F. graminearum. Preliminary mechanism studies revealed that compound II (R2 = CONH2) caused reactive oxygen species accumulation, cell membrane destruction, and deregulation of histone acetylation. These findings indicated that 1-carbamoyl β-carbolines I, II, III and IV can be selected as a promising model for the discovery of novel and broad-spectrum fungicide candidates.

European Journal of Medicinal Chemistry published new progress about Agrochemical fungicides. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application In Synthesis of 123-39-7.

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