5,6,7,8-四氢-2-硝基萘-1-醇 | 861331-53-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 5,6,7,8-四氢-2-硝基萘-1-醇
• 英文名称: 2-nitro-5,6,7,8-tetrahydronaphthalen-1-ol
• 英文别名: 2-Nitro-5.6.7.8-tetrahydro-naphthalin-(1)；2-Nitro-5,6,7,8-tetrahydro-[1]naphthol；6-Nitro-5-oxy-tetralin；6-Nitro-tetralol-(5)；6-Nitro-5-oxy-1.2.3.4-tetrahydro-naphthalin；2-Nitro-ar.tetrahydro-α-naphthol；2-Nitro-5,6,7,8-tetrahydronaphthalen-1-ol
• CAS: 861331-53-5
• 化学式: C₁₀H₁₁NO₃
• 分子量: 193.202
• InChiKey: AQYZNAXKHBGYEA-UHFFFAOYSA-N

物化性质

• 沸点：
  302.3±42.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6,7,8-四氢-2-硝基萘-1-醇 生成 2,4-dinitro-5,6,7,8-tetrahydronaphthalen-1-ol
  参考文献：
  名称：

  Green; Rowe, Journal of the Chemical Society, 1918, vol. 113, p. 968

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 生成 5,6,7,8-四氢-2-硝基萘-1-醇
  参考文献：
  名称：

  Green; Rowe, Journal of the Chemical Society, 1918, vol. 113, p. 968

  摘要：

  DOI：

文献信息

• Schroeter, Justus Liebigs Annalen der Chemie, 1922, vol. 426, p. 132
  作者：Schroeter

  DOI：——

  日期：——
• Antitumor Agents. 5. Synthesis, Structure−Activity Relationships, and Biological Evaluation of Dimethyl-5<i>H</i>-pyridophenoxazin-5-ones, Tetrahydro-5<i>H</i>-benzopyridophenoxazin-5-ones, and 5<i>H</i>-Benzopyridophenoxazin-5-ones with Potent Antiproliferative Activity
  作者：Adele Bolognese、Gaetano Correale、Michele Manfra、Antonio Lavecchia、Ettore Novellino、Stefano Pepe

  DOI：10.1021/jm050745l

  日期：2006.8.1

  New antiproliferative compounds, dimethyl-5H-pyrido[3,2-a] phenoxazin-5-ones (1-6), tetrahydro-5-Hbenzopyrido[2,3-j]phenoxazin-5-ones (7-9), and 5H-benzopyrido[3,2-a] phenoxazin-5-ones (10-12) were synthesized and evaluated against representative human neoplastic cell lines. Dimethyl derivatives 1-6 were more active against carcinoma than leukemia cell lines. The tetrahydrobenzo derivatives 7-9 were scarcely active, whereas the corresponding benzo derivatives 10-12 showed notable cytotoxicity against a majority of the tested cell lines. Molecular modeling studies indicated that the high potency of 10 and 11, the most cytotoxic compounds of the whole series, could be due to the position of the condensed benzene ring, which favors d-d stacking interactions with purine and pyrimidine bases in the DNA active site. Biological studies suggested that 10-12 have no effect on human topoisomerases I and II and that they induce arrest at the G2/M phase.
• Green; Rowe, Journal of the Chemical Society, 1918, vol. 113, p. 968
  作者：Green、Rowe

  DOI：——

  日期：——