1-bromo-2,3-dimethoxy-5-ethylbenzene | 849669-41-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-bromo-2,3-dimethoxy-5-ethylbenzene
• 英文别名: 1-Bromo-5-ethyl-2,3-dimethoxybenzene
• CAS: 849669-41-6
• 化学式: C₁₀H₁₃BrO₂
• 分子量: 245.116
• InChiKey: BBOIVZYMHFQTRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-2,3-dimethoxy-5-ethylbenzene 在 palladium on activated charcoal 氢气 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙酸乙酯 、 正戊烷 为溶剂， -78.0~20.0 ℃ 、300.0 kPa 条件下， 反应 2.5h， 生成 (1R,2R,4aS,8aS)-1-(5-ethyl-2,3-diMethoxybenzyl)-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
  参考文献：
  名称：

  pelorol及其类似物的合成：肌醇5-磷酸酶SHIP的激活剂。

  摘要：

  [反应：见正文]一种旨在寻找新的抗炎药的筛选程序已将海绵类金属萜类佩洛尔（1）鉴定为肌醇5磷酸酶SHIP的体外活化剂。从香紫苏内酯（4）合成了Pelorol（1）和几种官能团类似物。

  DOI：

  10.1021/ol047316m
• 作为产物：
  描述：

  1-bromo-2,3-dimethoxy-5-ethenyl benzene 在 Rh on carbon 氢气 作用下， 以 二氯甲烷 为溶剂， 生成 1-bromo-2,3-dimethoxy-5-ethylbenzene
  参考文献：
  名称：

  pelorol及其类似物的合成：肌醇5-磷酸酶SHIP的激活剂。

  摘要：

  [反应：见正文]一种旨在寻找新的抗炎药的筛选程序已将海绵类金属萜类佩洛尔（1）鉴定为肌醇5磷酸酶SHIP的体外活化剂。从香紫苏内酯（4）合成了Pelorol（1）和几种官能团类似物。

  DOI：

  10.1021/ol047316m

文献信息

• Synthesis of Pelorol and Its Analogs and Their Inhibitory Effects on Phosphatidylinositol 3-Kinase
  作者：Yongjie Luo、Huixuan Chen、Jiang Weng、Gui Lu

  DOI：10.3390/md14060118

  日期：——

  important sources of new lead compounds. Pelorol is a natural product isolated from marine organisms that possesses a novel structure with high bioactivity. In this paper, the synthesis of pelorol has been completed, and the synthesis of some intermediates has been optimized and scaled up. Five pelorol analogs have also been prepared. Preliminary biological activity testing demonstrated that compounds 5

  海洋生物中有许多具有新颖结构和独特生理功能的生物活性物质。这些物质是新的铅化合物的重要来源。Pelorol是从海洋生物中分离出来的天然产物，具有一种具有高生物活性的新型结构。本文已完成了对邻苯三酚的合成，并对某些中间体的合成进行了优化和扩大规模。还制备了五种波洛洛类似物。初步的生物活性测试表明，化合物5和6可能是潜在的癌症治疗先导化合物。
• Arylindenopyridines and related therapeutic and prophylactic methods
  申请人：——

  公开号：US20040082578A1

  公开（公告）日：2004-04-29

  This invention provides novel arylindenopyridines of the formula: 1 and pharmaceutical compositions comprising same, useful for treating disorders ameliorated by antagonizing Adensine A2a receptors or reducing PDE activity in appropriate cells. This invention also provides therapeutic and prophylactic methods using the instant pharmaceutical compositions.

  本发明提供了新型的芳基茚莽啶化合物的公式1及其制成的药物组合物，用于治疗通过拮抗腺苷A2a受体或在适当的细胞中减少PDE活性而改善的疾病。本发明还提供了使用该药物组合物的治疗和预防方法。
• Scalable, Divergent Synthesis of Meroterpenoids via “Borono-sclareolide”
  作者：Darryl D. Dixon、Jonathan W. Lockner、Qianghui Zhou、Phil S. Baran

  DOI：10.1021/ja303937y

  日期：2012.5.23

  A scalable, divergent synthesis of bioactive meroterpenoids has been developed. A key component of this work is the invention of "borono-sclareolide", a terpenyl radical precursor that enables gram-scale preparation of (+)-chromazonarol. Subsequent synthetic operations on this key intermediate permit rapid access to a variety of related meroterpenoids, many of which possess important biological activity.
• IMIDAZOLE DERIVATIVES THAT INDUCE APOPTOSIS AND THEIR THERAPEUTIC USES
  申请人：Shin In-Jae

  公开号：US20100105726A1

  公开（公告）日：2010-04-29

  The present invention relates to a pharmaceutical composition comprising compound for induction of apoptosis, a method for inducing cancer cell apoptosis, a method to suppress lymphocyte activation, a method to improve intracellular trafficking of misfolded mutants and a screening method to identify additional compounds useful for inducing apoptosis, and more specifically, it relates to pharmaceutical compositions comprising imidazole derivatives as active gradients for induction of apoptosis to treat various diseases including cancers and immune-related diseases, the method of inducing apoptosis by treating cancer cells with the said pharmaceutical composition, the method of inactivating human lymphocytes by treating lymphocytes with the said pharmaceutical composition, the method of improving intracellular trafficking of misfolded mutants by treating cells containing the mutants with the said pharmaceutical composition, and the screening method for identifying additional compound useful for inducing apoptosis, wherein cells are incubated with the said pharmaceutical composition and detected.
• US7576117B1
  申请人：——

  公开号：US7576117B1

  公开（公告）日：2009-08-18