BI-11A12

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: BI-11A12
• 英文别名: {5-[5-(2-Nitro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid；2-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
• 化学式: C₁₆H₁₀N₂O₆S₂
• 分子量: 390.397
• InChiKey: AMZBKKRYLLGDIF-QPEQYQDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  174
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-羧甲基绕丹宁 、 5-(2-硝基苯)呋喃醛 在 PS-Wang resin 、 1-羟基苯并三唑 、 达卡巴嗪 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 BI-11A12
  参考文献：
  名称：

  Solid-phase combinatorial synthesis of 5-arylalkylidene rhodanine

  摘要：

  Rhodanine-3-acetic acid was loaded on Wang resin or Rink amide resin. Alternatively, the thiocarbonyl-diimidazole-activated Wang amino acid resin or 2-chlorotrityl resin was reacted with methyl thioglycolate to yield the rhodanine moieties. It was then condensed at the C-5 active methylene with either aromatic aldehydes or aromatic ketones. 5-Arylalkylidene rhodanine was obtained upon resin cleavage. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00866-2

文献信息

• [EN] RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES DE RHODANINE ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2004043955A1

  公开（公告）日：2004-05-27

  This invention describes rhodanine derivatives and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating cell proliferative diseases such as cancers.

  这项发明描述了罗丹宁衍生物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作参与泛素化的生物体的生化途径的抑制剂。特别地，这些化合物和组合物可用于治疗细胞增殖性疾病，如癌症。
• Rhodanine derivatives and pharmaceutical compositions containing them
  申请人：Singh Rajinder

  公开号：US20060276520A1

  公开（公告）日：2006-12-07

  This invention describes rhodanine derivatives and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating cell proliferative diseases such as cancers.

  本发明描述了罗丹宁衍生物和药物组合物，用于抑制泛素化。本发明的化合物和组合物可用作生物体中泛素化涉及的生物化学通路的抑制剂。特别地，这些化合物和组合物可用于治疗细胞增殖性疾病，如癌症。
• RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS
  申请人：Singh Rajinder

  公开号：US20090137644A1

  公开（公告）日：2009-05-28

  This invention describes compounds and pharmaceutical compositions useful as inhibitors of ubiquitination. The compounds and compositions of the invention are useful as inhibitors of the biochemical pathways of organisms in which ubiquitination is involved. In particular, the compounds and compositions are useful for treating diseases caused by viruses such as poxviruses and retroviruses. The invention further provides for methods of treating smallpox, Herpes virus and HIV infection in patients using the compounds and compositions of the invention.

  这项发明描述了化合物和制药组合物，可用作泛素化抑制剂。该发明的化合物和组合物可用作生物体中泛素化参与的生化途径的抑制剂。特别是，该化合物和组合物可用于治疗由病毒引起的疾病，如痘病毒和逆转录病毒。该发明还提供了使用该化合物和组合物治疗天花、疱疹病毒和HIV感染患者的方法。
• Inhibition of lethal factor protease activity from anthrax toxin
  申请人：Pellecchia Maurizio

  公开号：US20080033025A1

  公开（公告）日：2008-02-07

  The present invention provides compounds that efficiently and specifically inhibit lethal factor (LF) protease activity of anthrax toxin.
• INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN
  申请人：Pellecchia Maurizio

  公开号：US20100298390A1

  公开（公告）日：2010-11-25

  The present invention provides compounds that efficiently and specifically inhibit lethal factor (LF) protease activity of anthrax toxin.