17α-(1,3-dihydro-2H-inden-5-yl)-estradiol | 1184119-82-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 17α-(1,3-dihydro-2H-inden-5-yl)-estradiol
• 英文别名: (8R,9S,13S,14S,17S)-17-(2,3-dihydro-1H-inden-5-yl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 1184119-82-1
• 化学式: C₂₇H₃₂O₂
• 分子量: 388.55
• InChiKey: OYRNSMVGYAGQLU-IONQDRQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• [EN] LIGANDS OF ESTROGEN RECEPTORS a AND ß, METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM<br/>[FR] LIGANDS DES RÉCEPTEURS DES OESTROGÈNES a ET ß, PROCÉDÉ DE PRÉPARATION ET PRODUITS PHARMACEUTIQUES COMPRENANT LESDITS LIGANDS
  申请人：USTAV MOLEKULARNI GENETIKY AV

  公开号：WO2009135449A1

  公开（公告）日：2009-11-12

  The invention relates to novel ligands of the estrogen receptors α and β of general formula (II), which are useful as active substance of pharmaceuticals, for example pharmaceutical compositions useful for hormone replacement therapy, as well as for the treatment of tumour and inflammatory diseases. The invention relates also to a novel preparation method of these ligands comprising cyclotrimerization of ethynylestradiol with the appropriate diyne in an organic solvent. Further, the invention relates to pharmaceuticals comprising the novel compounds according to the invention.

  本发明涉及一种新型雌激素受体α和β的配体，其一般式为（II），可用作药物的活性成分，例如用于激素替代疗法的药物组合物，以及用于治疗肿瘤和炎症性疾病的药物。本发明还涉及一种新的制备这些配体的方法，包括在有机溶剂中用适当的二炔基环三聚乙烯酚进行环三聚化反应。此外，本发明还涉及包含新型化合物的药物。
• Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them
  申请人：Novak Petr

  公开号：US20110118225A1

  公开（公告）日：2011-05-19

  The invention relates to novel ligands of the estrogen receptors α and β of general formula II, which are useful as an active substance of pharmaceuticals, for example pharmaceutical compositions useful for hormone replacement therapy, as well as for the treatment of tumors and inflammatory diseases. The invention also relates to a novel preparation method of these ligands comprising cyclotrimerization of ethynylestradiol with the appropriate diyne in an organic solvent. Further, the invention relates to pharmaceuticals comprising the novel compounds according to the invention.

  该发明涉及一种新型雌激素α和β受体的配体，其通式为II，可用作药物的活性成分，例如用于激素替代疗法的药物组合物，以及用于肿瘤和炎症性疾病的治疗。该发明还涉及一种新的制备这些配体的方法，包括在有机溶剂中用适当的二炔基与乙炔雌二醇进行环三聚反应。此外，该发明还涉及包含该发明中新化合物的药物。
• LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM
  申请人：Ustav molekularni genetiky AV CR, v.v.i.

  公开号：EP2274316B1

  公开（公告）日：2013-02-13
• US8334280B2
  申请人：——

  公开号：US8334280B2

  公开（公告）日：2012-12-18