4α-benzyl-7-((2-methylpyridin-3-yl)carbamoyl)-2-(trifluoromethyl)-1,2,3,4,4α,9,10,10α-octahydrophenanthren-2-yl dihydrogen phosphate | 1044535-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4α-benzyl-7-((2-methylpyridin-3-yl)carbamoyl)-2-(trifluoromethyl)-1,2,3,4,4α,9,10,10α-octahydrophenanthren-2-yl dihydrogen phosphate
• 英文别名: Fosdagrocorat；[(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoyl]-2-(trifluoromethyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-yl] dihydrogen phosphate
• CAS: 1044535-58-1
• 化学式: C₂₉H₃₀F₃N₂O₅P
• 分子量: 574.537
• InChiKey: BVXLAHSJXXSWFF-KEKPKEOLSA-N

物化性质

• 密度：
  1.41±0.1 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  9

制备方法与用途

Fosdagrocorat (PF-04171327) 是一种自由形式的糖皮质激素受体激动剂。

反应信息

• 作为产物：
  描述：

  dibenzyl (2R,4αS,10αR)-4α-benzyl-7-((2-methylpyridin-3-yl)carbamoyl)-2-(trifluoromethyl)-1,2,3,4,4α,9,10,10α-octahydrophenanthren-2-ylphosphate 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 以75%的产率得到4α-benzyl-7-((2-methylpyridin-3-yl)carbamoyl)-2-(trifluoromethyl)-1,2,3,4,4α,9,10,10α-octahydrophenanthren-2-yl dihydrogen phosphate
  参考文献：
  名称：

  Tricyclic Compound, Compositions, and Methods

  摘要：

  本发明涉及具有以下化学式I的化合物或其盐，这些化合物是糖皮质激素受体的调节剂。本发明的化合物和盐在治疗由糖皮质激素受体活性介导的疾病方面是有用的。

  公开号：

  US20080188443A1

文献信息

• TRICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS
  申请人：Cheng Hengmiao (Henry)

  公开号：US20100286214A1

  公开（公告）日：2010-11-11

  The present invention is directed to compounds of Formula I: or salt thereof, which are modulators of the glucocorticoid receptor. The compounds and salts of the invention are useful in the treatment of conditions mediated by glucocorticoid receptor activity.

  本发明涉及式I的化合物或其盐，这些化合物是糖皮质激素受体的调节剂。本发明的化合物和盐在治疗由糖皮质激素受体活性介导的疾病方面具有用途。
• TRICYCLIC COMPOUNDS AND THEIR USE AS GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：Pfizer Products Inc.

  公开号：EP2114888B1

  公开（公告）日：2010-11-10
• Tricyclic Compounds, Compositions, and Methods
  申请人：Cheng Hengmiao (Henry)

  公开号：US20080312294A1

  公开（公告）日：2008-12-18

  The present invention is directed to compounds of Formula I: or salt thereof, which are modulators of the glucocorticoid receptor. The compounds and salts of the invention are useful in the treatment of conditions mediated by glucocorticoid receptor activity.
• TRICYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS
  申请人：CHENG Hengmiao (Henry)

  公开号：US20120095062A1

  公开（公告）日：2012-04-19

  The present invention is directed to compounds of Formula I: or salt thereof, which are modulators of the glucocorticoid receptor. The compounds and salts of the invention are useful in the treatment of conditions mediated by glucocorticoid receptor activity.
• Tricyclic Compounds, Compositions, And Methods
  申请人：Pfizer Inc.

  公开号：US20140142316A1

  公开（公告）日：2014-05-22

  The present invention is directed to compounds of Formula I: or salt thereof, which are modulators of the glucocorticoid receptor. The compounds and salts of the invention are useful in the treatment of conditions mediated by glucocorticoid receptor activity.