1-Hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

• 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: 1-Hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• 英文别名: 1-hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• 化学式: C₂₈H₃₃NO₂S
• 分子量: 447.6
• InChiKey: VQWACUCUZZDYJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• COMPOUNDS MODULATING ASTROCYTIC RELEASE OF SUBSTANCES THROUGH CONNEXINS AND PANNEXINS AND TREATMENT OF PSYCHIATRIC DISORDERS
  申请人：Universidad Andres Bello

  公开号：EP2897632A2

  公开（公告）日：2015-07-29
• [EN] USE OF COMPOUNDS THAT SELECTIVELY MODULATE ASTROCYTIC RELEASE OF SUBSTANCES THROUGH HEMICHANNELS OF CONNEXINS AND PANNEXINS, WITHOUT INFLUENCING GAP JUNCTIONS, FOR THE TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] UTILISATION DE COMPOSÉS QUI MODULENT SÉLECTIVEMENT LA LIBÉRATION ASTROCYTAIRE DE SUBSTANCES PAR LES HÉMICANAUX DE CONNEXINE ET DE PANNEXINE, SANS INFLUENCER LES JONCTIONS COMMUNICANTES, POUR LE TRAITEMENT DES TROUBLES PSYCHIATRIQUES
  申请人：UNIV ANDRES BELLO

  公开号：WO2013179264A2

  公开（公告）日：2013-12-05

  The present invention is related to the use of compounds or pharmaceutically acceptable salts thereof that modulate astrocytic release of substances through connexin and pannexin hemichannels, for the treatment of psychiatric disorders. Compounds or pharmaceutically acceptable salts thereof used in the present invention comprise any compound that differentially modulates, blocks, opens, inhibits, and/or activates connexin and/or pannexin hemichannels from astrocytes while not affecting gap junctions. The invention is also related to a method for treating psychiatric disorders, comprising administering to a mammal or human a therapeutically effective amount of a compound or a pharmaceutically acceptable salt thereof, that modulates astrocytic release of substances through connexin and pannexin hemichannels. Pharmaceutical compositions and a screening method are also considered in the present invention. Examples are shown for connexin 43, connexin 30 and pannexin 1 hemichannel modulators shown not to affect gap junctions, in the form of both non peptide compounds and peptides which were tested in different models for psychiatric disorders, comprising PTSD, memory, anxiety and depression.