7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-ol | 97398-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: 7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-ol
• 英文别名: 7-nitro-2,3-dihydro-1,4-benzodioxin-6-ol
• CAS: 97398-65-7
• 化学式: C₈H₇NO₅
• 分子量: 197.147
• InChiKey: LRHFGBDYKMSVMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-ol 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 6-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-propyl}-2,3-dihydro-8H-1,4,5-trioxa-8-aza-anthracen-7-one
  参考文献：
  名称：

  New Substituted 1,4-Benzoxazine Derivatives with Potential Intracellular Calcium Activity

  摘要：

  Substituted 1,4-benzoxazines bearing an amino side chain at the 2-position were prepared and were found to have a moderate activity on intracellular calcium. Of the compounds studied it was found that those which possess a homoveratrylamino moiety exhibited superior potency. The chain length and the nature of the amine (4-fluorophenylpiperazine, 4-fluorobenzhydryloxyethylamine, N-substituted homoveratrylamine) is discussed. The 4-benzyl-3,4-dihydro-2[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-2H-1,4-benzoxazine (3c) is the most potent derivative of the series with a ratio of IC50 values against PE (phenylephrine) and K+ of 2.1. Under these test conditions a ratio near 1 indicates potential intracellular calcium activity while a ratio greater than 100 an action on extracellular calcium influx.

  DOI：

  10.1021/jm970795t
• 作为产物：
  描述：

  6-acetoxy-7-nitro-2,3-dihydro-benzo[1,4]dioxine 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以98%的产率得到7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-ol
  参考文献：
  名称：

  New Substituted 1,4-Benzoxazine Derivatives with Potential Intracellular Calcium Activity

  摘要：

  Substituted 1,4-benzoxazines bearing an amino side chain at the 2-position were prepared and were found to have a moderate activity on intracellular calcium. Of the compounds studied it was found that those which possess a homoveratrylamino moiety exhibited superior potency. The chain length and the nature of the amine (4-fluorophenylpiperazine, 4-fluorobenzhydryloxyethylamine, N-substituted homoveratrylamine) is discussed. The 4-benzyl-3,4-dihydro-2[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-2H-1,4-benzoxazine (3c) is the most potent derivative of the series with a ratio of IC50 values against PE (phenylephrine) and K+ of 2.1. Under these test conditions a ratio near 1 indicates potential intracellular calcium activity while a ratio greater than 100 an action on extracellular calcium influx.

  DOI：

  10.1021/jm970795t

文献信息

• [EN] BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1<br/>[FR] DÉRIVÉS DE BISARYLURÉE UTILES POUR INHIBER CHK1
  申请人：ICOS CORP

  公开号：WO2006012308A1

  公开（公告）日：2006-02-02

  Aryl- and heteroaryl-substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed. Formula (I).

  披苯基和杂环基取代的脲化合物可用于治疗与DNA损伤或DNA复制中的损伤相关的疾病和病况。公开了制备这些化合物的方法，以及它们作为治疗剂的用途，例如在治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病中的应用。公式（I）。
• Design and synthesis of multifunctional microtubule targeting agents endowed with dual pro-apoptotic and anti-autophagic efficacy
  作者：Giuseppe Campiani、Tuhina Khan、Cristina Ulivieri、Leopoldo Staiano、Chiara Papulino、Stefania Magnano、Seema Nathwani、Anna Ramunno、Daniel Lucena-Agell、Nicola Relitti、Stefano Federico、Luca Pozzetti、Gabriele Carullo、Alice Casagni、Simone Brogi、Francesca Vanni、Paola Galatello、Magda Ghanim、Niamh McCabe、Stefania Lamponi、Massimo Valoti、Ola Ibrahim、Jeffrey O'Sullivan、Richard Turkington、Vincent P. Kelly、Ruben VanWemmel、J. Fernando Díaz、Sandra Gemma、Daniela Zisterer、Lucia Altucci、Maria Antonietta De Matteis、Stefania Butini、Rosaria Benedetti

  DOI：10.1016/j.ejmech.2022.114274

  日期：2022.5
• KOSAKA, XIDEHO;SASAKI, MITSURU;OGURI, YUKIO
  作者：KOSAKA, XIDEHO、SASAKI, MITSURU、OGURI, YUKIO

  DOI：——

  日期：——
• SASAKI, MITSURU;KOSAKA, XIDEHO;OGURI, YUKIO
  作者：SASAKI, MITSURU、KOSAKA, XIDEHO、OGURI, YUKIO

  DOI：——

  日期：——
• KOHSAKA, HIDEO;OGURI, YUKIO;SASAKI, MITSURU;MUKAI, KUNIO, J. PESTIC. SCI., 13,(1988) N 2, 277-281
  作者：KOHSAKA, HIDEO、OGURI, YUKIO、SASAKI, MITSURU、MUKAI, KUNIO

  DOI：——

  日期：——