1,3,6-三羟基-2-甲基蒽醌-3-O-Α-鼠李糖-(1→2)-Β-D-(6'-O-乙酰基)-葡萄糖苷 | 87686-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 1,3,6-三羟基-2-甲基蒽醌-3-O-Α-鼠李糖-(1→2)-Β-D-(6'-O-乙酰基)-葡萄糖苷
• 英文名称: 2-methyl-1,3,6-trihydroxy-9,10-anthraquinone 3-O-(6'-O-acetyl)-α-rhamnosyl(1→2)-β-glucoside
• 英文别名: 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside；[(2R,3S,4S,5R,6S)-6-(4,7-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
• CAS: 87686-87-1
• 化学式: C₂₉H₃₂O₁₅
• 分子量: 620.564
• InChiKey: MYMGMMVFIFXMSB-TUABHHCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  239
• 氢给体数：
  7
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  1,3,6-三羟基-2-甲基蒽醌-3-O-Α-鼠李糖-(1→2)-Β-D-(6'-O-乙酰基)-葡萄糖苷 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.17h， 生成 1,3,6-三羟基-2-甲基蒽醌-3-O-新橙皮糖苷
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR TREATING STEROID HORMONE-RELATED DISEASES OR DISORDERS
  [FR] COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT DE MALADIES OU DE TROUBLES IMPLIQUANT DES HORMONE STÉROÏDIENNES

  摘要：

  The invention relates in one aspect to the unexpected discovery that herbal extracts of the Rubia cordifolia plant are potent inhibitors of a range of receptors, proteins and enzymes implicated in the pathology of a number of common diseases and disorders. In certain embodiments, the method is useful for treating at least one disease or disorder related to a steroid hormone receptor including prostate cancer, breast cancer, ovarian cancer, lung cancer, leukemia and lymphoma. In other embodiments, the method is useful for treating at least one disease or disorder related to the expression of at least one protein selected from the group consisting of Brd4, Brd2, cyclin D1, p53, Gata3 and CD47.

  公开号：

  WO2019232146A1

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATING STEROID HORMONE-RELATED DISEASES OR DISORDERS<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE TRAITEMENT DE MALADIES OU DE TROUBLES IMPLIQUANT DES HORMONE STÉROÏDIENNES
  申请人：UNIV YALE

  公开号：WO2019232146A1

  公开（公告）日：2019-12-05

  The invention relates in one aspect to the unexpected discovery that herbal extracts of the Rubia cordifolia plant are potent inhibitors of a range of receptors, proteins and enzymes implicated in the pathology of a number of common diseases and disorders. In certain embodiments, the method is useful for treating at least one disease or disorder related to a steroid hormone receptor including prostate cancer, breast cancer, ovarian cancer, lung cancer, leukemia and lymphoma. In other embodiments, the method is useful for treating at least one disease or disorder related to the expression of at least one protein selected from the group consisting of Brd4, Brd2, cyclin D1, p53, Gata3 and CD47.