New Tools for Absolute Molecular Structure Assignment

绝对分子结构分配的新工具

• 批准号: 1152449
• 负责人: James Nowick
• 金额: $ 40.5万
• 依托单位: University of California-Irvine
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-02-15 至 2016-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1152449&HistoricalAwards=false
• 关键词: New; Tools; Absolute; Molecular; Structure

In this project funded by the Chemical Synthesis Program of the Chemistry Division, Professor Scott Rychnovsky of the Department of Chemistry at University of California Irvine will develop a new strategy to assign the configuration of optically pure amines and alcohols. The strategy uses kinetic resolution catalysts and reagents, which are reactive compounds that are known to react faster with one mirror image of a molecule than the other. Reactions will be investigated with amines and alcohols to identify structural features that correlate with rate differences between mirror-image (enantiomeric) molecules. Understanding of the relationship between structure and rate could lead to a general tool to predict the absolute configuration of molecules based on the rates of reaction with benchmark reagents. Amines and alcohols are very common structural elements in biologically active natural products and in new pharmaceutical agents. Assigning the complete three-dimensional structure to these molecules is the first step in understanding their activity. This project will facilitate research in many fields related to chemistry including pharmaceutical development, agricultural chemistry, medicinal chemistry and natural product isolation and structure assignment. The project will be developed with the participation of a wide variety of undergraduate and graduate students, including those from groups historically underrepresented in the sciences.

在这个由化学部化学合成项目资助的项目中，加州大学欧文分校化学系的Scott Rychnovsky教授将开发一种新的策略来分配光纯胺和醇的构型。该策略使用了动力学分辨率催化剂和试剂，这是一种活性化合物，已知与分子的一个镜像反应速度比另一个镜像更快。将研究与胺和醇的反应，以确定与镜像（对映体）分子之间速率差异相关的结构特征。对结构和速率之间关系的理解，可能会导致基于与基准试剂反应速率来预测分子绝对构型的通用工具。胺和醇是具有生物活性的天然产物和新药中非常常见的结构元素。确定这些分子的完整三维结构是了解其活性的第一步。该项目将促进与化学相关的许多领域的研究，包括药物开发，农业化学，药物化学和天然产物的分离和结构分配。该项目将在各种本科生和研究生的参与下开发，包括那些历史上在科学领域代表性不足的群体。