(E)-hydroxy-7α-methyl-21-[(2-dimethylamino)ethoxy]-19-norpregna-1,3,5(10),17(20)-tetraene, citrate salt

• 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: (E)-hydroxy-7α-methyl-21-[(2-dimethylamino)ethoxy]-19-norpregna-1,3,5(10),17(20)-tetraene, citrate salt
• 英文别名: (7R,8S,9S,13S,14S,17E)-17-[2-[2-(dimethylamino)ethoxy]ethylidene]-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
• 化学式: C₆H₈O₇*C₂₅H₃₇NO₂
• 分子量: 575.7
• InChiKey: JRLGWQCFXLXNCM-RFVFDIJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  165
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (E)-3-Tetrahydropyranyloxy-7α-methyl-21-hydroxy-19-norpregna-1,3,5(10),17(20)-tetraene 在 sodium hydride 、 对甲苯磺酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.75h， 生成 (E)-hydroxy-7α-methyl-21-[(2-dimethylamino)ethoxy]-19-norpregna-1,3,5(10),17(20)-tetraene, citrate salt
  参考文献：
  名称：

  WO2006/113842

  摘要：

  公开号：

文献信息

• METHOD OF SELECTING THERAPEUTIC INDICATIONS
  申请人：Agarwal Pankaj

  公开号：US20140170157A1

  公开（公告）日：2014-06-19

  Methods of treatment for Crohn's disease and multiple sclerosis are disclosed. Also disclosed are methods for repositioning a pharmaceutical by selecting at least one target gene, gene product, or loci associated with the treatment of at least one first disease, trait, or phenotype by the pharmaceutical, identifying at least one second disease, trait, or phenotype associated with the least one target gene, gene product, or loci using genome-wide associated studies, and selecting at least one identified second disease, trait and/or phenotype based on step for treatment with the pharmaceutical.
• WO2006/113842
  申请人：——

  公开号：——

  公开（公告）日：——