189631-96-7

Upstream product

• 64-17-5 ethanol 
• 2566-29-2 diethylglycine 
• 92398-53-3 α,α-diethylglycine hydrochloride 
• 5456-23-5 2-ethyl-2-bromo-butyric acid 
• 510-20-3 diethyl malonic acid 
• 96-22-0 pentan-3-one 
• 22374-51-2 1-amino-1-ethylpropyl cyanide 
• 126385-72-6 ethyl 2-[(4-chlorobenzylidene)amino]butanoate 
• 189631-94-5 ethyl 2-[(diphenylmethylene)amino]-2-ethylbutanoate 

Downstream Products

• 19792-52-0 2-amino-2-ethylbutan-1-ol 
• 2566-29-2 diethylglycine 
• 1007232-78-1 N-({[1-ethyl-1-(hydroxymethyl)propyl]amino}carbonothioyl)benzamide 
• 1007232-80-5 4-(2-{[1-ethyl-1-(hydroxymethyl)propyl]amino}-1,3-thiazol-4-yl)benzonitrile 

Relevant academic research and scientific papers

Helical versus planar conformation of homooligopeptides prepared from diethylglycine (= 2-amino-2-ethylbutanoic acid)

Homooligopeptides containing α,α-diethylgycine (=2-amino-2- ethylbutanoic acid), were synthesized by conventional solution methods. An ethyl or methyl ester was used as protecting group at the C-terminus and a trifluoroacetyl group as protecting group at the N-terminus of the peptides. The conformations of such tripenta-, and hexapeptides in the solid state were studied using X-ray crystallographic analysis, and were shown to be a bent planar C5-conformation in the case of tripeptide 8a, and a 310-helical structure in the case of pentapeptide 10 and hexapeptide 11. 1R and 1H-NMR spectra revealed that the dominant conformation of hexapeptide 11 in CDCl3 solution was not the 310-helical structure shown in the solid state, but a fully planar C5 structure.

Structure-based virtual screening for insect ecdysone receptor ligands using MM/PBSA

The ecdysone receptor (EcR) is an insect nuclear receptor that is activated by the molting hormone, 20-hydroxyecdysone. Because synthetic EcR ligands disrupt the normal growth of insects, they are attractive candidates for new insecticides. In this study, the Molecular Mechanics/Poisson–Boltzmann Surface Area (MM/PBSA) method was used to predict the binding activity of EcR ligands. Validity analyses using 40 known EcR ligands showed that the binding activity was satisfactorily predicted when the ligand conformational free energy term was introduced. Subsequently, this MM/PBSA method was applied to structure-based hierarchical virtual screening, and 12 candidate compounds were selected from a database of 3.8 million compounds. Five of these compounds were active in a cell-based competitive binding assay. The most potent compound is a simple proline derivative with low micromolar binding activity, representing a valuable lead compound for further structural optimization.

Pyrrolidine and related derivatives useful as PR modulators

Compounds of the following structure are described: wherein R1-R6, R11, R12, m, V, X, Y, Z and Q are described herein, or a pharmaceutically acceptable salt, tautomer, metabolite or prodrug thereof. These compou

Tricyclic oxazolidone derivatives useful as PR modulators

Compounds of the following structure are described: wherein R1-R6, R16, m, V, W, X, Y, and Q are described herein, or a pharmaceutically acceptable salt, tautomer, metabolite or prodrug thereof. These compounds are use

Oxazolidone derivatives as PR modulators

Compounds of the following structure are described: wherein R1, R2, R5, R6, V, X, Y, Z and Q are described herein, or a pharmaceutically acceptable salt, tautomer, metabolite or prodrug thereof. These compounds are useful for treating a variety of hormone-related conditions including contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake or synchronizing estrus.

Oxazolidine derivatives as PR modulators

Compounds of the following structure are described: wherein R1-R6, m, V, W, X, Y, Z and Q are described herein, or a pharmaceutically acceptable salt, tautomer, metabolite or prodrug thereof. These compounds are useful for treating a

Imidazolidin-2-one derivatives useful as PR modulators

Compounds of the following structure are described: wherein R1-R6, R10, m, V, X, Y, Z and Q are described herein, or a pharmaceutically acceptable salt, tautomer, metabolite or prodrug thereof. These compounds are useful f

Tracking a new cell-penetrating (W/R) nonapeptide, through an enzyme-stable mass spectrometry reporter tag

We have designed a mass stable reporter (msr) tag with m/z over 500, trifluoroacetyl(α,α-diemyl)Gly-Lys(Nebiotin)-(D)Lys-Cys, for the quantification of the uptake and study of the degradation processes of cell-penetrating peptides (CPP), by matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. This tag was found stable in cell lysis conditions. Using a quantitative MALDI-TOF mass spectrometry analysis based method, an accurate tracking of a new CPP and of its degradation products could be done. (1) The new msr(W/ R) nonapeptide (H-RRWWRRWRR-NH 2) enters chinese hamster ovary (CHO) K1 cells with a kinetic reaching a steady state after 30-60 min of incubation. This plateau was stable for 4 h and decreased slowly afterward. (2) The peptide msr(W/R) nonapeptide was not cytotoxic over 48 h incubation with CHO cells. (3) After 1 h incubation, the msr(W/R) nonapeptide accumulated with a 3-fold higher concentration than the extracellularly added concentration (7.5 μM). (4) The intracellular quantification was accurate with less than 3% of the quantified peptide being potentially membrane-bound. (5) There was no leakage of the full-length CPP outside the cells. And, finally, (6) analysis of the degradation process of this new CPP suggests that the peptide did not traffick to lysosomes.

Enantioselective Cyclopropanation of Allylic Alcohols. The Effect of Zinc Iodide

The effect of zinc iodide on the catalytic, enantioselective cyclopropanation of aliylic alcohols is examined with bis(iodomethyl)zinc as the reagent and bis-methanesulfonamide 7 as the catalyst. Significant rate enhancement was observed when 1 equiv of zinc iodide was present, but more importantly, the enantiomeric excess of the product cyclopropane increased from 80% to 89% for the substrate cinnamyl alcohol. Reaction studies and spectroscopic investigations show that this remarkable influence is the result of reagent modification via a Schlenk equilibrium that produces the more reactive and selective species (iodomethyl)zinc iodide.