4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine
• 英文别名: 4-(1,3-benzodioxol-5-yloxy)-2-(4-imidazol-1-ylphenoxy)-6-methylpyrimidine
• 化学式: C₂₁H₁₆N₄O₄
• 分子量: 388.382
• InChiKey: QQBNDYARFVOEGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,4-二氯-6-甲基嘧啶 、 芝麻酚 、 1-(咪唑-1-基)苯酚 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 36.0h， 生成 4-(1,3-benzodioxol-5-yloxy)-2-[4-(1H-imidazol-1-yl)phenoxy]-6-methylpyrimidine
  参考文献：
  名称：

  The rational design of inhibitors of nitric oxide formation by inducible nitric oxide synthase

  摘要：

  A series of compounds was rationally designed as inhibitors of dimer formation of the inducible isoform of nitric oxide synthase, and subsequent nitric oxide production. The conformation of two fragments obtained from a crystal structure was utilized to design a tether connecting those same two fragments. The resulting compounds were potent dimerization inhibitors that bound to the enzyme in a similar conformation as the fragments. (C) 2007 Elsevier Ltd. All rights

  DOI：

  10.1016/j.bmcl.2007.02.018

文献信息

• N-heterocyclic derivatives as NOS inhibitors
  申请人：——

  公开号：US20020010190A1

  公开（公告）日：2002-01-24

  N-Heterocyclic derivatives selected from the group consisting of the following formulae: 1 where Z 1 , Z 2 , Z 3 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are described herein, are useful as inhibitors of nitric oxide synthase. Pharmaceutical compositions containing these compounds, methods of using these compounds as inhibitors of nitric oxide synthase and processes for synthesizing these compounds are also described herein.

  本文描述了从以下公式组成的群体中选择的N-杂环衍生物：1其中Z1，Z2，Z3，R1，R2，R3，R4，R5和R6如下所述，可用作一氧化氮合酶的抑制剂。本文还描述了包含这些化合物的制药组合物，使用这些化合物作为一氧化氮合酶抑制剂的方法以及合成这些化合物的过程。
• N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP1268471A1

  公开（公告）日：2003-01-02
• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• US6525051B2
  申请人：——

  公开号：US6525051B2

  公开（公告）日：2003-02-25