苯戊醇,4-硝基- | 129619-59-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯戊醇,4-硝基-
• 英文名称: 5-(4-nitrophenyl)pentanol
• 英文别名: 4-Nitrobenzenepentanol；5-(4-nitrophenyl)pentan-1-ol
• CAS: 129619-59-6
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: BNIRHPYMENCBAR-UHFFFAOYSA-N

物化性质

• 沸点：
  341.0±17.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  苯戊醇,4-硝基- 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 25.0h， 生成 N'-[5-(4-nitrophenyl)pentyl]ethane-1,2-diamine
  参考文献：
  名称：

  DNA-directed alkylating agents. 2. Synthesis and biological activity of platinum complexes linked to 9-anilinoacridine

  摘要：

  Two different classes of cis-diaminedichloroplatinum(II) complexes linked to the DNA-intercalating chromophore 9-anilinoacridine have been synthesized and evaluated as DNA-targeted antitumor agents. Two different Pt chelating ligands were investigated (based on 1,2-ethanediamine and 1,3-propanediamine), designed to deliver the Pt in an orientation likely to respectively enhance either intrastrand or interstrand cross-linking. Although both sets of ligands were somewhat unstable under neutral or basic conditions with respect to disproportionation, the corresponding Pt complexes, once prepared, appeared to be quite stable. All the Pt complexes were monitored for purity by TLC, HPLC, and FAB mass spectra, and the mode of Pt coordination was established by 195Pt NMR spectroscopy. The complexes appeared to cause simultaneous platination and intercalative unwinding of plasmid DNA. In vitro studies were carried out with both wild-type and cisplatin-resistant P388 cell lines. Whereas cisplatin itself and the ethylenediamine and 1,3-propanediamine complexes used as standards were about 10-fold less active against the resistant line, the ethylenediamine-linked Pt complexes showed no differential toxicity between the two lines and the propanediamine-linked complexes showed significant differentials (up to 8-fold) in favor of the cisplatin-resistant line. However, these were no greater than those shown by the unplatinated ligands themselves. The majority of the acridine complexes were inactive in vivo against the wild-type P388 leukemia. They were very insoluble, and although a suitable formulation was found, this may have been a factor. It is also possible that these compounds bind in such a way as to direct the Pt away from the major groove.

  DOI：

  10.1021/jm00173a015
• 作为产物：
  描述：

  5-苯基戊酸 在 dimethyl sulfide borane 、 硫酸 、 硝酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 苯戊醇,4-硝基-
  参考文献：
  名称：

  阿拉伯半乳聚糖部分结构的全合成及其在过敏预防中的应用。

  摘要：

  阿拉伯半乳聚糖是植物中存在的一种微异质多糖，以其过敏保护活性而闻名，有可能用于预防性过敏治疗。由于全球特应性疾病的不断增加，人们非常需要新的治疗方案，尤其是预防性的治疗方案。然而，阿拉伯半乳聚糖的过敏保护活性的结构起源仍不清楚，并且由于天然产物的活性变化和内毒素污染，多糖的分离对于药物应用来说是不可行的。因此，选择五糖部分结构进行全合成，然后与载体蛋白偶联形成新糖缀合物。阿拉伯半乳聚糖的过敏保护活性可以在随后的体内实验中通过部分结构重现。这是成功简化阿拉伯半乳聚糖的第一个例子，具有单一部分结构，同时保留其预防过敏的潜力。

  DOI：

  10.1002/chem.202002287

文献信息

• Synthesis and Activity against Multidrug Resistance in Chinese Hamster Ovary Cells of New Acridone-4-carboxamides
  作者：Nerina Dodic、Bernard Dumaitre、Alain Daugan、Pascal Pianetti

  DOI：10.1021/jm00013a017

  日期：1995.6

  A number of tricyclic carboxamides have been synthesized and tested to evaluate their ability to reverse multidrug resistance in the (CHC)-C-R/5 cell line. Among them the acridone derivatives were the most potent, A key feature is the presence of a dimethoxybenzyl or phenethylamine cationic site, separated from the tricyclic lipophilic part by a carbamoylphenyl chain. Optimization led to compounds 2 orders of magnitude more active than the prototype inhibitors verapamil and amiodarone. On the basis of in vitro and in vivo activities, 9,10-dihydro-5-methoxy- 9-oxo-N-[4-[2-(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinol-2-yl)ethyl]phenyl]-4-acridinecarboxamide (84) has been selected for further development.
• PALMER, BRIAN D.;LEE, HO H.;JOHNSON, PAUL;BAGULEY, BRUCE C.;WICKHAM, GEOF+, J. MED. CHEM., 33,(1990) N1, C. 3008-3014
  作者：PALMER, BRIAN D.、LEE, HO H.、JOHNSON, PAUL、BAGULEY, BRUCE C.、WICKHAM, GEOF+

  DOI：——

  日期：——
• Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions
  申请人：SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD.

  公开号：EP0162208B1

  公开（公告）日：1989-11-23
• NEW ANALOGS OF NITROBENZYLTHIOINOSINE
  申请人：Grünenthal GmbH

  公开号：EP1492803A1

  公开（公告）日：2005-01-05
• US4683234A
  申请人：——

  公开号：US4683234A

  公开（公告）日：1987-07-28