(4R,4aS,6aR,6bR,8aR,12aR,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,4a,5,6,6a,7,8,8a,13,14a,14b-dodecahydro-1H-picene-4-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4R,4aS,6aR,6bR,8aR,12aR,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-3,4,4a,5,6,6a,7,8,8a,13,14a,14b-dodecahydro-1H-picene-4-carboxamide
• 化学式: C₃₁H₄₄N₂O₃
• 分子量: 492.7
• InChiKey: NZZCSBLVZQPWDT-WOMVILDHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  36
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR
  申请人：Auspex Pharmaceuticals, Inc.

  公开号：US20140286943A1

  公开（公告）日：2014-09-25

  The present invention relates to new cyclopropyl modulators of P2Y12 receptor activity, pharmaceutical compositions thereof, and methods of use thereof.

  本发明涉及P2Y12受体活性的新的环丙基调节剂，其制药组合物以及使用方法。
• ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH SATURATION IN THE C-RING
  申请人：REATA PHARMACEUTICALS, INC.

  公开号：US20140179928A1

  公开（公告）日：2014-06-26

  This invention provides, but is not limited to, novel oleanolic acid derivatives having the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds and compositions.