11-cyano-14a-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-(2-methylpropyl)-10,14-dioxo-3,4,5,6,7,8,8a,14b-octahydro-1H-picene-2-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 11-cyano-14a-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-N-(2-methylpropyl)-10,14-dioxo-3,4,5,6,7,8,8a,14b-octahydro-1H-picene-2-carboxamide
• 化学式: C₃₅H₅₀N₂O₄
• 分子量: 562.8
• InChiKey: ATJCDKBRCYAAPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY
  申请人：AbbVie Inc.

  公开号：EP2892910A2

  公开（公告）日：2015-07-15
• [EN] GLYCYRRHETINIC ACID DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS D'ACIDE GLYCYRRHÉTINIQUE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ABBVIE INC

  公开号：WO2014040052A2

  公开（公告）日：2014-03-13

  The present application relates to: (a) compounds of Formula (I): and salts thereof, wherein Y and Z are as defined in the specification; (b) compositions comprising such compounds and salts; and (c) methods of use of such compounds, salts, and compositions, particularly use for the treatment and prevention of diseases such as those associated with oxidative stress and inflammation.