2-bromo-3'-acetophenanthrone | 34585-56-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-bromo-3'-acetophenanthrone
• 英文别名: 3-(bromoacetyl)phenanthrene；2-Phenanthryl-bromomethylketon；2-bromo-1-[3]phenanthryl-ethanone；2-Brom-1-[3]phenanthryl-aethanon；2-Bromo-1-phenanthren-3-ylethanone
• CAS: 34585-56-3
• 化学式: C₁₆H₁₁BrO
• 分子量: 299.167
• InChiKey: WOYRDZZXRJNGFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-bromo-3'-acetophenanthrone 在 二甲基亚砜 作用下， 生成 phenanthren-2-yl-oxoacetaldehyde
  参考文献：
  名称：

  β-肾上腺素能阻断剂。IV。Pronethalol（2-异丙基氨基-1-（2-萘基）乙醇）的2-萘基的变化。

  摘要：

  DOI：

  10.1021/jm00303a027
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 溴 作用下， 生成 2-bromo-3'-acetophenanthrone
  参考文献：
  名称：

  Studies in the Phenanthrene Series. V. 9-Acetylphenanthrene. Reduction Products of 2-, 3- and 9-Acetylphenanthrenes¹

  摘要：

  DOI：

  10.1021/ja01335a071

文献信息

• Structure-activity relationships of (arylalkyl)imidazole anticonvulsants: comparison of the (fluorenylalkyl)imidazoles with nafimidone and denzimol
  作者：David W. Robertson、Joseph H. Krushinski、E. E. Beedle、J. David Leander、David T. Wong、R. C. Rathbun

  DOI：10.1021/jm00159a004

  日期：1986.9

  fluorenyl, benzo[b]thienyl, and benzofuranyl aryl groups provided several highly active (arylalkyl)imidazole anticonvulsants. These structurally diverse aryl moieties, and comparable anticonvulsant activities, lend credence to the hypothesis that the pharmacophore of this class of anticonvulsants is the alkylimidazole portion of the molecule, with the lipophilic aryl portion enabling penetration of the

  （芳烷基）咪唑类是最近发现的并且在结构上不同的一类抗癫痫药。此类的两个独立发现的代表：地摩尔（α-[4-（2-苯基乙基）苯基] -1H-咪唑-1-乙醇）和萘啶酮（2-（1H-咪唑-1-基）-1-（2 -萘基萘酮）正在接受临床评估。我们的结构活性关系（SAR）研究表明，除了萘啶酮和苯并萘酚的萘基和苯乙基苯基芳基部分之外，芴基，苯并[b]噻吩基和苯并呋喃基芳基分别提供了几种高活性的（芳烷基）咪唑抗惊厥剂。这些结构上不同的芳基部分和可比较的抗惊厥活性使这一类抗惊厥药效基团是分子的烷基咪唑部分这一假设得到了证实，亲脂性芳基部分具有能够穿透血脑屏障的能力。我们将SAR研究的重点放在了（芴基烷基）咪唑系列上。该系列的代表性化合物是1-（9H-芴-2-基）-2-（1H-咪唑-1-基）乙酮。这种药物在抑制小鼠最大电击惊厥方面的功效是萘啶酮的两倍（分别为po ED50分别为25和56 mg / kg），而在
• Extending the Excitation Wavelength of Potential Photosensitizers via Appendage of a Kinetically Stable Terbium(III) Macrocyclic Complex for Applications in Photodynamic Therapy
  作者：Phuc Ung、Michèle Clerc、Huaiyi Huang、Kangqiang Qiu、Hui Chao、Michael Seitz、Ben Boyd、Bim Graham、Gilles Gasser

  DOI：10.1021/acs.inorgchem.7b00677

  日期：2017.7.17

  after irradiation at 420 nm (20 min, 9.27 J cm–2), Tb3–Tb6 were phototoxic to HeLa cells with IC50 values between 14.3–32.3 μM. Cell morphological studies and fluorescence microscopy with live/dead cell stains confirmed these findings. In addition, these complexes were highly stable in human blood plasma, with no significant degradation observed after 96 h at 37 °C. This excellent phototoxicity profile

  需要高能紫外线照射的光敏剂常常阻碍了可行的光动力疗法方案的发展，由于其低组织穿透性，光敏剂的临床应用潜力有限。在这里，我们报告通过strategy（III）-1,4,7,10-四氮杂环十二烷-1,4,7-三乙酸酯络合物（DO3A-Tb）的共价连接来扩展潜在光敏剂的激发波长的策略。用一系列多环芳烃（萘，菲，蒽，pyr和荧蒽）系统地证明了该方法，制备了六种新的络合物（Tb1 - Tb6），其红移现象扩展到可见区。单线态氧的量子产率测定（1在所有情况下，在350和420 nm处的O 2）产量均显着高于母体分子。对子宫颈癌细胞（HeLa）和非癌性MRC-5细胞的细胞活力研究表明，在光照射之前，所有复合物都没有可测量的细胞毒性。但是，在420 nm（20分钟，9.27 J cm –2）照射后，Tb3 - Tb6对HeLa细胞具有IC 50的光毒性。值介于14.3–32.3μM之间。细胞形态学研究和活
• 2-ARYLPYRROCOLINES AND 2-ARYLPYRIMIDAZOLES
  作者：NG. PH. BUU-HOÏ、PIERRE JACQUIGNON、NG. D. XUONG、DENISE LAVIT

  DOI：10.1021/jo01373a021

  日期：1954.8
• Kroehnke, Chemische Berichte, 1936, vol. 69, p. 921,924
  作者：Kroehnke

  DOI：——

  日期：——
• Personality disorders and psychoses form two distinct subgroups of homicide among female offenders
  作者：Hanna Putkonen、Jutta Collander、Marja-Liisa Honkasalo、Jouko Lönnqvist

  DOI：10.1080/09585180122116

  日期：2001.1

  This study examined circumstances of homicide by women in relation to their subsequent diagnoses. We investigated the written reports of forensic psychiatric examinations on 125 Finnish women who committed murder, attempted murder, manslaughter, or attempted manslaughter during 1982-92. In 86% of the cases the victims were adults, in 15% children. Intimate partners were the victims in 54% of the cases. Stabbing was the most frequent method and a quarrel the most frequent motive. The diagnoses of personality disorders and psychoses formed distinct subgroups. Psychotic women attacked proportionally more children than the personality disordered, who mainly attacked adults. Personality disordered women were more likely to have been intoxicated with alcohol at the time. Future treatment programmes and studies are suggested.