4-allyl-2-nitroaniline | 160522-85-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-allyl-2-nitroaniline
• 英文别名: 2-nitro-4-prop-2-enylaniline
• CAS: 160522-85-0
• 化学式: C₉H₁₀N₂O₂
• 分子量: 178.191
• InChiKey: KYZKLYLXDFILGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-allyl-2-nitroaniline 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 4-丙基-1,2-苯二胺
  参考文献：
  名称：

  Synthesis and Evaluation of Terbenzimidazoles as Topoisomerase I Inhibitors

  摘要：

  The synthesis and pharmacological activity of a series of terbenzimidazoles are described. The ability of these derivatives to induce DNA cleavage in the presence of topoisomerase I was evaluated in vitro. These analogs were also assayed for their cytotoxicity in RPMI 8402 cells and the camptothecin-resistant CPT-K5 cells. In addition the potential for these compounds to serve as substrates for MDR1 was also determined. Several terbenzimidazoles exhibited similar cytotoxicity against variants of human tumor cells that either overexpress MDR1 or are camptothecin-resistant.

  DOI：

  10.1021/jm00018a024
• 作为产物：
  描述：

  2-硝基苯胺 在 bis(triphenylphosphine)palladium(II)-chloride 、 四溴环己二烯-1-酮 、 三苯基膦 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-allyl-2-nitroaniline
  参考文献：
  名称：

  Synthesis and Evaluation of Terbenzimidazoles as Topoisomerase I Inhibitors

  摘要：

  The synthesis and pharmacological activity of a series of terbenzimidazoles are described. The ability of these derivatives to induce DNA cleavage in the presence of topoisomerase I was evaluated in vitro. These analogs were also assayed for their cytotoxicity in RPMI 8402 cells and the camptothecin-resistant CPT-K5 cells. In addition the potential for these compounds to serve as substrates for MDR1 was also determined. Several terbenzimidazoles exhibited similar cytotoxicity against variants of human tumor cells that either overexpress MDR1 or are camptothecin-resistant.

  DOI：

  10.1021/jm00018a024

文献信息

• Terbenzimidazoles useful as antifungal agents
  申请人：Rutgers, The State University of New Jersey

  公开号：US05770617A1

  公开（公告）日：1998-06-23

  The present invention provides a method of treatment of fungal infection with an antifungal topoisomerase I inhibitor of the formula: ##STR1## wherein Ar is (C.sub.6 -C.sub.12)aryl, a (5- to 12-membered) heteroaryl comprising 1-3 N, S or non-peroxide O, wherein N is unsubstituted or is substituted with H, (C.sub.1 -C.sub.4)alkyl or benzyl; or benzo; X is H, CN, CHO, OH, acetyl, CF.sub.3, O(C.sub.1 -C.sub.4)alkyl, NO.sub.2, NH.sub.2, halogen or halo-(C.sub.1 -C.sub.4)alkyl; each Y is individually H, (C.sub.1 -C.sub.4)alkyl or aralkyl; Y' is H or (C.sub.1 -C.sub.4)alkyl; n is 0 or 1; and each Z is individually H, (C.sub.1 -C.sub.4)alkyl, halogen or halo(C.sub.1 -C.sub.4)alkyl; or a pharmaceutically acceptable salt thereof.

  本发明提供了一种使用拓扑异构酶I抑制剂治疗真菌感染的方法，所述抑制剂的化学式为：##STR1## 其中Ar为(C.sub.6-C.sub.12)芳基，(5-至12-成员)杂环芳基，包括1-3个N、S或非过氧化物O，其中N未取代或被H、(C.sub.1-C.sub.4)烷基或苄基取代；或苯并；X为H、CN、CHO、OH、乙酰、CF.sub.3、O(C.sub.1-C.sub.4)烷基、NO.sub.2、NH.sub.2、卤素或卤代(C.sub.1-C.sub.4)烷基；每个Y分别为H、(C.sub.1-C.sub.4)烷基或芳基烷基；Y'为H或(C.sub.1-C.sub.4)烷基；n为0或1；每个Z分别为H、(C.sub.1-C.sub.4)烷基、卤素或卤代(C.sub.1-C.sub.4)烷基；或其药学上可接受的盐。
• Substituted 1,2,4-triazine-3,5-dione derivatives and drug compositions containing them, particularly for coccidiosis treatment
  申请人：SUNTORY LIMITED

  公开号：EP0576251B1

  公开（公告）日：1999-11-24
• TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：EP0839140A1

  公开（公告）日：1998-05-06
• TERBENZIMIDAZOLES USEFUL FOR MEDICAL THERAPY (TOPOISOMERASE INHIBITORS)
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：EP0960103A1

  公开（公告）日：1999-12-01
• US4060491A
  申请人：——

  公开号：US4060491A

  公开（公告）日：1977-11-29