(5S)-3-(4-methoxyphenyl)-1-[[4-[[(1S,5S)-3-(4-methoxyphenyl)-6,8-dimethyl-7,9-dioxo-5-(phenylmethoxymethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonan-1-yl]methyl]phenyl]methyl]-6,8-dimethyl-5-(phenylmethoxymethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione

• 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: (5S)-3-(4-methoxyphenyl)-1-[[4-[[(1S,5S)-3-(4-methoxyphenyl)-6,8-dimethyl-7,9-dioxo-5-(phenylmethoxymethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonan-1-yl]methyl]phenyl]methyl]-6,8-dimethyl-5-(phenylmethoxymethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
• 化学式: C₅₂H₅₄N₄O₈S₄
• 分子量: 991.3
• InChiKey: HXPDKHLHHUYZEM-RLQLCJTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  68
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  219
• 氢给体数：
  0
• 氢受体数：
  12

文献信息

• [EN] COMPOSITIONS AND METHODS FOR INHIBITING ACTIVITY OF HYPOXIA-INDUCIBLE TRANSCRIPTION FACTOR COMPLEX AND ITS USE FOR TREATMENT OF TUMORS<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE L'ACTIVITÉ DU COMPLEXE DE FACTEUR DE TRANSCRIPTION INDUCTIBLE PAR L'HYPOXIE, ET UTILISATION DANS LE TRAITEMENT DE TUMEURS
  申请人：UNIV SOUTHERN CALIFORNIA

  公开号：WO2014035484A1

  公开（公告）日：2014-03-06

  Disclosed are epidithiodiketopiperazine compounds, pharmaceutical compositions based thereon and methods of treating, reducing or inhibiting transcription and translation of hypoxia-inducible genes. An embodiment of the present invention is directed to a method for interfering with hypoxia-induced transcriptional pathway. Generally, the method according to this embodiment comprises contacting a cell with at least one compound according to either Formula I, Formula II or Formula III, or a salt, solvent or hydrate thereof.

  揭示了一种二硫代二酮吡嗪化合物，基于该化合物的药物组合物以及治疗、减少或抑制缺氧诱导基因的转录和翻译的方法。本发明的一种实施例涉及干扰缺氧诱导的转录途径的方法。根据这种实施例的方法通常包括将细胞与根据化合物I、化合物II或化合物III中的至少一种，或其盐、溶剂或水合物进行接触。
• Compositions and Methods for Inhibiting Activity of Hypoxia-Inducible Transcription Factor Complex and Its Use for Treatment of Tumors
  申请人：University of Southern California

  公开号：US20150246933A1

  公开（公告）日：2015-09-03

  Disclosed are epidithiodiketopiperazine compounds, pharmaceutical compositions based thereon and methods of treating, reducing or inhibiting transcription and translation of hypoxia-inducible genes.

  本发明涉及一种二硫代二酮哌嗪化合物、基于其的制药组合物以及用于治疗、减少或抑制缺氧诱导基因转录和翻译的方法。
• US9416145B2
  申请人：——

  公开号：US9416145B2

  公开（公告）日：2016-08-16