2-isopropyl-4,5-(methylenedioxy)phenol | 1415385-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-isopropyl-4,5-(methylenedioxy)phenol
• 英文别名: 6-Propan-2-yl-1,3-benzodioxol-5-ol；6-propan-2-yl-1,3-benzodioxol-5-ol
• CAS: 1415385-84-0
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: OZCIPGKGSDGFPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-isopropyl-4,5-(methylenedioxy)phenol 、 2-氯-4-硝基苯甲酰氯 以 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel 7H-benzo [c] [1, 3] dioxolo [4, 5-f] chromen-7-one derivatives with potential anti-tumor activity

  摘要：

  In this study, a series of novel 7H-benzo [c] [1,3] dioxolo [4, 5-f] chromen-7-one derivatives were obtained by structural modification of the lead compounds with Fissitungfine B. A total 15 compounds were designed, synthesized and evaluated as inhibitors of tumor. These target compounds have the novel chemical structures that named three six-membered rings including one lactone six-membered ring. In vitro assay, the results showed that the target compounds have a broad spectrum and strong of anti-tumor activity. Such as the target compound 4n to MCF-7 was IC₅₀ = 0.35 ± 0.01 μM, to A-549 was IC₅₀ = 0.37 ± 0.01 μM, to Hela was IC₅₀ = 0.56 ± 0.02 μM, to MDC-803 was IC₅₀ = 0.53 ± 0.02 μM and COLO-205 was IC₅₀ = 0.50 ± 0.02 μM in vitro. At the same time, in vivo anti-tumor activity assay results showed that the target compounds had a good inhibitory effect on tumor growth. Among them, the target compound 4n had the best anti-tumor activity, it could inhibit tumor growth well at a low dose. The target compound 4n could be used as a candidate drug for further research and development, in order to be used as early as application in the clinical treatment of tumors.

  DOI：

  10.1016/j.bioorg.2020.104381
• 作为产物：
  描述：

  4-甲基-6,7-亚甲基二氧代香豆素 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 以53%的产率得到芝麻酚
  参考文献：
  名称：

  Ethylene glycol as hydrogen donor for the syntheses of thymol analogues via hydrolysis of 4-methylcoumarins

  摘要：

  Treatment of 4-methylcoumarins with potassium hydroxide in ethylene glycol resulted in the formation of the 'normal' 2-isopropenylphenols and/or the 'abnormal' 2-isopropylphenols depending on the nature of the substrates. The solvent ethylene glycol was believed to be the hydrogen donor for double-bonding reduction where 2-isopropylphenol was produced. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.122

文献信息

• [EN] TUBERCULATIN ANALOGS AS ANTIVIRAL AGENTS<br/>[FR] ANALOGUES DE LA TUBERCULINE UTILISÉS EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UNIV HONG KONG BAPTIST UNIV

  公开号：WO2022135136A1

  公开（公告）日：2022-06-30

  Provided herein are tuberculatin analogs that are useful as antivirals, such as anti-HIV, anti-coronaviral, anti-Ebola viral, and anti-influenza viral agents and methods of use thereof.

  本文提供了一些类结核菌素的模拟物，可用作抗病毒剂，例如抗HIV、抗冠状病毒、抗埃博拉病毒和抗流感病毒的药物，并提供了使用方法。
• Optical sortingmethod
  申请人：Medical Research Council

  公开号：EP1522581B1

  公开（公告）日：2012-03-07
• NOVEL FUNGAL MODULATORS
  申请人：TRUSTEES OF BOSTON UNIVERSITY

  公开号：US20220064152A1

  公开（公告）日：2022-03-03

  The present invention is directed to compounds, compositions, and methods for inhibiting drug-efflux pumps. The compounds, compositions, and methods can be used for enhancing the activity of therapeutic agents that are efflux pump substrates and for the treatment of drug-resistant diseases or disorders, such as microbial infections and cancers.