(2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-2-carboxamide | 1575665-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-2-carboxamide
• 英文别名: (2S,4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,4a,6a,6b,9,9,12a-heptamethyl-N-[(1-methylpyrazol-4-yl)methyl]-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-2-carboxamide
• CAS: 1575665-61-0
• 化学式: C₃₆H₄₈N₄O₃
• 分子量: 584.802
• InChiKey: XKIOQIABMAMIJD-CQYOUPHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  43
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• GLYCYRRHETINIC ACID DERIVATIVES AND METHODS OF USE THEREOF
  申请人：AbbVie Inc.

  公开号：US20140073700A1

  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.

  本申请涉及以下内容：(a) 公式(I)化合物及其盐，其中Y和Z如规范中定义；(b) 包含此类化合物和盐的组合物；以及(c) 使用此类化合物、盐和组合物的方法，尤其用于治疗和预防与氧化应激和炎症相关的疾病。
• GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY
  申请人：AbbVie Inc.

  公开号：EP2892910B1

  公开（公告）日：2016-09-07