6-Nitro-2-octyl-benzo[de]isoquinoline-1,3-dione | 118073-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-Nitro-2-octyl-benzo[de]isoquinoline-1,3-dione
• 英文别名: 6-Nitro-2-octylbenzo[de]isoquinoline-1,3-dione
• CAS: 118073-45-3
• 化学式: C₂₀H₂₂N₂O₄
• 分子量: 354.406
• InChiKey: IJNKPSMMAKQFBF-UHFFFAOYSA-N

物化性质

• 沸点：
  527.6±33.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  83.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  辛胺 、 6-Nitro-2-octyl-benzo[de]isoquinoline-1,3-dione 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到2-Octyl-6-octylamino-benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Lugovskii, A. P.; Rachkevich, V. S.; Erdman, M. V., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 3, p. 560 - 563

  摘要：

  DOI：
• 作为产物：
  描述：

  、 1-溴辛烷 以 苯 为溶剂， 反应 0.58h， 以95%的产率得到6-Nitro-2-octyl-benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Tetraalkylammonium salts of naphthimide and its halo and nitro derivatives

  摘要：

  Synthesis of tetraalkylammonium salts of naphthimide and its derivatives was studied.

  DOI：

  10.1134/s1070427206030153

文献信息

• Neurotrophin antagonist compositions
  申请人：——

  公开号：US20020169182A1

  公开（公告）日：2002-11-14

  A pharmaceutical composition comprising a compound of Formula I 1 wherein R 1 is selected from, inter alia, alkyl, aryl-loweralkyl, heterocycle-loweralkyl, loweralkyl-carbonate; optionally substituted amino; benzimidaz-2-yl; optionally substituted phenyl; loweralkyl-(R 5 )(R 6 ) wherein one of R 5 and R 6 is selected from H and and the other is selected from carboxy, carboxy-loweralkyl and loweralkoxycarbonyl; NHCH 2 CH 2 OX wherein X represents an in vivo hydrolyzable ester; and R 2 and R 3 are independently selected from H, NO 2 , halo, di(loweralkyl)amino, cyano, C(O)OH, phenyl-S—, loweralkyl, and Z(O)OR 7 wherein Z is selected from C and S and R 7 is selected from H, loweralkylamino and arylamino; or pharmaceutically acceptable salts or certain in vivo hydrolyzable esters or amides thereof, in an amount effective to inhibit neurotrophin-mediated activity, and a suitable carrier, is described. The compositions are useful to inhibit undesirable neurotrophin-mediated activity such as the neurite outgrowth that occurs in some neurodegenerative disease states.

  一种药物组合物，包括I1式化合物，其中R1从以下选项中选择，包括烷基，芳基-低烷基，杂环-低烷基，低烷氧基羰基；可选择取代氨基；苯并咪唑-2-基；可选择取代的苯基；低烷基-(R5)(R6)其中R5和R6中的一个选择自H和另一个选择自羧基，羧基-低烷基和低烷氧羰基；NHCH2CH2OX其中X代表体内可水解的酯；R2和R3独立选择自H，NO2，卤素，二（低烷基）氨基，氰基，C（O）OH，苯基-S—，低烷基和Z（O）OR7其中Z选择自C和S，R7选择自H，低烷基氨基和芳基氨基；或其药学上可接受的盐或体内可水解的酯或酰胺，在有效抑制神经营养因子介导的活性的量和适当的载体中进行描述。该组合物可用于抑制某些神经退行性疾病状态中发生的神经元突起生长等不良神经营养因子介导的活性。
• Selenium-containing naphthalimides as anticancer agents: Design, synthesis and bioactivity
  作者：Liwei Zhao、Jianfeng Li、Yiquan Li、Jianwen Liu、Thomas Wirth、Zhong Li

  DOI：10.1016/j.bmc.2012.02.049

  日期：2012.4

  Selenium analogues (4b-4h, and 4j) of two known sulfur compounds were synthesized and tested their anticancer activities. The selenium compound 4b had comparable activity with its sulfur analogue 4a, while DNA-binding study showed these two compounds had similar interaction with ct-DNA, the K-b was 8.23 and 2.36, respectively. The primary results showed that most compounds had moderate anticancer activities with IC50 values between 10 (6) and 10 (5) M. Another selenium analogue 4j showed the highest activity with the IC50 values around 5.3 mu M against K562 and MCF-7 cell lines. More importantly, the organochalcogen compounds exhibited stronger anticancer activities against K562 cell line than the other cell lines tested. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.
• NEUROTROPHIN ANTAGONISTS FOR THE TREATMENT OF EPILEPSY, ALZHEIMER'S DISEASE AND PAIN
  申请人：Allelix Biopharmaceuticals Inc.

  公开号：EP0930883B1

  公开（公告）日：2006-01-11
• NEUROTROPHIN ANTAGONIST COMPOSITIONS
  申请人：Allelix Biopharmaceuticals Inc.

  公开号：EP0930883A1

  公开（公告）日：1999-07-28
• US7291629B2
  申请人：——

  公开号：US7291629B2

  公开（公告）日：2007-11-06