A quantitative measure of chemical chirality and its application to asymmetric synthesis

2006 ◽  
pp. 165-180 ◽  
Author(s):  
James Dugundji ◽  
Rosemarie Kopp ◽  
Dieter Marquarding ◽  
Ivar Ugi
Keyword(s):  
Asymmetric Synthesis ◽  
Quantitative Measure

ChemInform Abstract: A QUANTITATIVE MEASURE OF CHEMICAL CHIRALITY AND ITS APPLICATION TO ASYMMETRIC SYNTHESIS

1978 ◽  
Vol 9 (49) ◽  
Author(s):  
J. DUGUNDJI ◽  
R. KOPP ◽  
D. MARQUARDING ◽  
I. UGI
Keyword(s):  
Asymmetric Synthesis ◽  
Quantitative Measure

Asymmetric Synthesis of 2-Substituted 2,3-Dihydro-1,4-benzodioxanes

Synfacts ◽  
2018 ◽  
Vol 14 (09) ◽  
pp. 0948
Keyword(s):  
Asymmetric Synthesis

Procedures for the Quantitative Determination of Autoprothrombin C

1962 ◽  
Vol 08 (03) ◽  
pp. 434-441 ◽  
Author(s):  
Edmond R Cole ◽  
Ewa Marciniak ◽  
Walter H Seegers
Keyword(s):  
Quantitative Determination ◽  
Plasma Sample ◽  
Quantitative Measure ◽  
The Other ◽  
Clotting Time ◽  
Bovine Plasma ◽  
Autoprothrombin C

SummaryTwo quantitative procedures for autoprothrombin C are described. In one of these purified prothrombin is used as a substrate, and the activity of autoprothrombin C can be measured even if thrombin is in the preparation. In this procedure a reaction mixture is used wherein the thrombin titer which develops in 20 minutes is proportional to the autoprothrombin C in the reaction mixture. A unit is defined as the amount which will generate 70 units of thrombin in the standardized reaction mixture. In the other method thrombin interferes with the result, because a standard bovine plasma sample is recalcified and the clotting time is noted. Autoprothrombin C shortens the clotting time, and the extent of this is a quantitative measure of autoprothrombin C activity.

Catalytic Asymmetric Synthesis

1995 ◽  
Vol 191 (Part_1) ◽  
pp. 141-142
Author(s):  
G. Oehme
Keyword(s):  
Asymmetric Synthesis ◽  
Catalytic Asymmetric Synthesis ◽  
Catalytic Asymmetric

Epigenetic Target Prediction with Accurate Machine Learning Models

2021 ◽  
Author(s):  
Norberto Sánchez-Cruz ◽  
Jose L. Medina-Franco
Keyword(s):  
Machine Learning ◽  
Small Molecules ◽  
Predictive Models ◽  
Large Scale ◽  
Target Prediction ◽  
Quantitative Measure ◽  
Learning Models ◽  
Discovery Research ◽  
Drug Discovery Research ◽  
Machine Learning Models

<p>Epigenetic targets are a significant focus for drug discovery research, as demonstrated by the eight approved epigenetic drugs for treatment of cancer and the increasing availability of chemogenomic data related to epigenetics. This data represents a large amount of structure-activity relationships that has not been exploited thus far for the development of predictive models to support medicinal chemistry efforts. Herein, we report the first large-scale study of 26318 compounds with a quantitative measure of biological activity for 55 protein targets with epigenetic activity. Through a systematic comparison of machine learning models trained on molecular fingerprints of different design, we built predictive models with high accuracy for the epigenetic target profiling of small molecules. The models were thoroughly validated showing mean precisions up to 0.952 for the epigenetic target prediction task. Our results indicate that the herein reported models have considerable potential to identify small molecules with epigenetic activity. Therefore, our results were implemented as freely accessible and easy-to-use web application.</p>

General Cyclopropane Assembly via Enantioselective Redox-Active Carbene Transfer to Aliphatic Olefins

2018 ◽  
Author(s):  
Marc Montesinos-Magraner ◽  
Matteo Costantini ◽  
Rodrigo Ramirez-Contreras ◽  
Michael E. Muratore ◽  
Magnus J. Johansson ◽  
...  
Keyword(s):  
Total Synthesis ◽  
Asymmetric Synthesis ◽  
Chemical Space ◽  
Synthetic Approach ◽  
Asymmetric Cyclopropanation ◽  
Redox Active ◽  
Wide Range ◽  
Leaving Group ◽  
Stereoelectronic Properties ◽  
Carbene Transfer

Asymmetric cyclopropane synthesis currently requires bespoke strategies, methods, substrates and reagents, even when targeting similar compounds. This limits the speed and chemical space available for discovery campaigns. Here we introduce a practical and versatile diazocompound, and we demonstrate its performance in the first unified asymmetric synthesis of functionalized cyclopropanes. We found that the redox-active leaving group in this reagent enhances the reactivity and selectivity of geminal carbene transfer. This effect enabled the asymmetric cyclopropanation of a wide range of olefins including unactivated aliphatic alkenes, enabling the 3-step total synthesis of (–)-dictyopterene A. This unified synthetic approach delivers high enantioselectivities that are independent of the stereoelectronic properties of the functional groups transferred. Our results demonstrate that orthogonally-differentiated diazocompounds are viable and advantageous equivalents of single-carbon chirons<i>.</i>

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