1,8-dihydroxy-3-methyl-6-((3,5,6-trimethyl pyrazine-2-yl)methoxy)anthracene-9,10-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-dihydroxy-3-methyl-6-((3,5,6-trimethyl pyrazine-2-yl)methoxy)anthracene-9,10-dione
• 化学式: C₂₃H₂₀N₂O₅
• 分子量: 404.422
• InChiKey: DPKBIZDOLYXQIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.48
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  109.61
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  川芎嗪 在 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 1,8-dihydroxy-3-methyl-6-((3,5,6-trimethyl pyrazine-2-yl)methoxy)anthracene-9,10-dione
  参考文献：
  名称：

  SYNTHESIS AND USE OF ANTI-TUMOR DRUG LQC-Y

  摘要：

  揭示了LQC-Y的一般结构式以及其合成和用途。药理实验证明了这些化合物具有显著的抗肿瘤效果。将LQC-Y3以最大剂量6000毫克/千克单日给小鼠，连续观察14天期间未显示毒性反应，表明这些化合物具有很高的安全性，可用于制备预防和治疗肝癌、肺癌等癌症的药物。在LQC-Y的一般结构式中，R代表类固醇化合物，如胆酸、去氧胆酸、熊去氧胆酸、陈去氧胆酸、豚去氧胆酸等；三萜化合物，如齐墩果酸、熊果酸、榆皮酸、甘草酸及其糖苷等；大黄酸、大黄素和其他蒽醌母核的单取代或多取代结构；黄芩素、黄芩苷和其他类黄酮；樟脑酸、单取代或多取代樟脑酸；栀子酸和其他伊丽酮酸衍生物；芍药酚、姜黄素及其结构衍生物。

  公开号：

  US20140011786A1

文献信息

• US9321804B2
  申请人：——

  公开号：US9321804B2

  公开（公告）日：2016-04-26
• [EN] SYNTHESIS AND USE OF ANTITUMOR DRUG LQC-Y<br/>[FR] SYNTHÈSE ET UTILISATION DU MÉDICAMENT ANTITUMORAL LQC-Y
  申请人：LEI HAIMIN

  公开号：WO2012119458A1

  公开（公告）日：2012-09-13

  Disclosed are the general structural formula of LQC-Y as well as the synthesis and use thereof. Pharmacological experiments demonstrated the marked antitumor effect of such compounds. Single day administration of LQC-Y3 to mice at a maximum dose of 6000 mg/kg showed no toxicity response during the 14-day continuous observation period, indicating the high safety of the compounds, and can be used to prepare medicaments for preventing and treating carcinomas such as liver cancer, lung cancer. (General structural formula of LQC-Y) R represents steroid compounds such as cholic acid, deoxycholic acid, ursodeoxycholic acid, chenodeoxycholic acid, and hyodeoxycholic acid; triterpenoid compounds such as oleanolic acid, ursolic acid, pachymic acid, glycyrrhetinic acid and glycosides thereof; emodic acid, emodin and other mono-substituted or poly-substituted structures of anthraquinone core; baicalein, baicalin and other flavone-like compounds; shikimic acid, mono-substituted shikimic acid or poly-substituted shikimic acid; geniposidic acid and other iridoid acid derivatives; paeonol, curcumin and structureal derivatives thereof.
• SYNTHESIS AND USE OF ANTI-TUMOR DRUG LQC-Y
  申请人：Lei Haimin

  公开号：US20140011786A1

  公开（公告）日：2014-01-09

  Disclosed are the general structural formula of LQC-Y as well as the synthesis and use thereof. Pharmacological experiments demonstrated the marked antitumor effect of such compounds. Single day administration of LQC-Y3 to mice at a maximum dose of 6000 mg/kg showed no toxicity response during the 14-day continuous observation period, indicating the high safety of the compounds, and the compounds can be used to prepare medicaments for preventing and treating carcinomas such as liver cancer, lung cancer. In the general structural formula of LQC-Y, R represents steroid compounds such as cholic acid, deoxycholic acid, ursodeoxycholic acid, chenodeoxycholic acid, and hyodeoxycholic acid and so on; triterpenoid compounds such as oleanolic acid, ursolic acid, pachymic acid, glycyrrhetinic acid and glycosides thereof and so on; emodic acid, emodin and other mono-substituted or poly-substituted structures of anthraquinone parent nucleus; baicalein, baicalin and other flavonoid; shikimic acid, mono-substituted shikimic acid or poly-substituted shikimic acid; gardenia acid and other iridoid acid derivatives; paeonol, curcumin and structural derivatives thereof.

  揭示了LQC-Y的一般结构式以及其合成和用途。药理实验证明了这些化合物具有显著的抗肿瘤效果。将LQC-Y3以最大剂量6000毫克/千克单日给小鼠，连续观察14天期间未显示毒性反应，表明这些化合物具有很高的安全性，可用于制备预防和治疗肝癌、肺癌等癌症的药物。在LQC-Y的一般结构式中，R代表类固醇化合物，如胆酸、去氧胆酸、熊去氧胆酸、陈去氧胆酸、豚去氧胆酸等；三萜化合物，如齐墩果酸、熊果酸、榆皮酸、甘草酸及其糖苷等；大黄酸、大黄素和其他蒽醌母核的单取代或多取代结构；黄芩素、黄芩苷和其他类黄酮；樟脑酸、单取代或多取代樟脑酸；栀子酸和其他伊丽酮酸衍生物；芍药酚、姜黄素及其结构衍生物。