3-<<3-<(2,2-dimethyl-1H-1-benzopyran-6-yl)(1H-imidazol-1-yl)methyl>phenoxy>methyl>pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-<<3-<(2,2-dimethyl-1H-1-benzopyran-6-yl)(1H-imidazol-1-yl)methyl>phenoxy>methyl>pyridine
• 英文别名: 3-[[3-[(2,2-Dimethylchromen-6-yl)-imidazol-1-ylmethyl]phenoxy]methyl]pyridine
• 化学式: C₂₇H₂₅N₃O₂
• 分子量: 423.514
• InChiKey: DAYIZFJXXXPBRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-吡啶甲醇 在 叔丁基锂 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.25h， 生成 3-<<3-<(2,2-dimethyl-1H-1-benzopyran-6-yl)(1H-imidazol-1-yl)methyl>phenoxy>methyl>pyridine
  参考文献：
  名称：

  Guanabenz-related amidinohydrazones: potent non-azole inhibitors of aldosterone biosynthesis

  摘要：

  A new series of potent, guanabenz-derived, non-steroidal aldosterone biosynthesis inhibitors are presented. Salient features of the structure-activity relationship indicate the requirement of a hydrophobic core, presence of a hydrophilic (or basic) peripheral appendage, and, in some cases, profound dependence on hydrazone stereochemistry. The most potent compound of the series, 29, was 2 orders of magnitude more potent than guanabenz as an aldosterone biosynthesis inhibitor.

  DOI：

  10.1016/0223-5234(94)90040-x

文献信息

• Natural Product-like Combinatorial Libraries Based on Privileged Structures. 1. General Principles and Solid-Phase Synthesis of Benzopyrans
  作者：K. C. Nicolaou、J. A. Pfefferkorn、A. J. Roecker、G.-Q. Cao、S. Barluenga、H. J. Mitchell

  DOI：10.1021/ja002033k

  日期：2000.10.1

  report a novel strategy for the design and construction of natural and natural product-like libraries based on the principle of privileged structures, a term originally introduced to describe structural motifs capable of interacting with a variety of unrelated molecular targets. The identification of such privileged structures in natural products is discussed, and subsequently the 2,2-dimethylbenzopyran

  在此，我们报告了一种基于特权结构原理设计和构建天然和天然产物类库的新策略，该术语最初用于描述能够与各种不相关的分子靶标相互作用的结构基序。讨论了天然产物中此类特权结构的鉴定，随后选择 2,2-二甲基苯并吡喃部分作为通过该策略构建类天然产物库的初始模板。最初，采用独特的环加载策略开发了苯并吡喃基序的新型固相合成，该策略依赖于使用新的聚苯乙烯基溴化硒树脂。一旦确定了这些苯并吡喃的加载、加工和裂解，
• Selenium-Based Solid-Phase Synthesis of Benzopyrans II: Applications to Combinatorial Synthesis of Medicinally Relevant Small Organic Molecules
  作者：K. C. Nicolaou、Guo-Qiang Cao、Jeffrey A. Pfefferkorn

  DOI：10.1002/(sici)1521-3773(20000218)39:4<739::aid-anie739>3.0.co;2-z

  日期：2000.2.18