(4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

• 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: (4R)-4-[(3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• 化学式: C₂₄H₄₀O₄
• 分子量: 392.6
• InChiKey: RUDATBOHQWOJDD-LRUOCDQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• FMO3 inhibitors for treating pain
  申请人：Akron Molecules GmbH

  公开号：EP2674161A1

  公开（公告）日：2013-12-18

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.

  本发明涉及治疗疼痛和相关疾病的新疗法，以及用于上述疗法的药物化合物。
• Process for the enzymatic regeneration of redox cofactors
  申请人：ANNIKKI GMBH

  公开号：US10370691B2

  公开（公告）日：2019-08-06

  A process for the enzymatic regeneration of the redox cofactors NAD+/NADH and NADP+/NADPH in a one-pot reaction, wherein, as a result of at least two further enzymatically catalyzed redox reactions proceeding in the same reaction batch (product-forming reactions), one of the two redox cofactors accumulates in its reduced form and, respectively, the other one in its oxidized form, characterized in that a) in the regeneration reaction which reconverts the reduced cofactor into its original oxidized form, oxygen or a compound of general formula R1C(O)COOH is reduced, and b) in the regeneration reaction which reconverts the oxidized cofactor into its original reduced form, a compound of general formula R2CH(OH)R3 is oxidized and wherein R1, R2 and R3 in the compounds have different meanings.

  一种在单锅反应中用酶再生氧化还原辅助因子 NAD+/NADH 和 NADP+/NADPH 的工艺，其中，由于在同一批反应（生成物反应）中进行了至少两个酶催化的氧化还原反应，两种氧化还原辅助因子中的一种以其还原形式积累，另一种分别以其氧化形式积累、其特征在于：a) 在将还原型辅助因子重新转化为原始氧化型的再生反应中，氧或通式 R1C(O)COOH 的化合物被还原；b) 在将氧化型辅助因子重新转化为原始还原型的再生反应中，通式 R2CH(OH)R3 的化合物被氧化，其中化合物中的 R1、R2 和 R3 具有不同的含义。
• VERFAHREN ZUR ENZYMATISCHEN REGENERIERUNG VON REDOXKOFAKTOREN
  申请人：Annikki GmbH

  公开号：EP2812439B1

  公开（公告）日：2019-05-22
• Compounds and Methods for Treating Pain
  申请人：Penninger Josef

  公开号：US20130252924A1

  公开（公告）日：2013-09-26

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.
• PROCESS FOR THE ENZYMATIC REGENERATION OF REDOX COFACTORS
  申请人：ANNIKKI GMBH

  公开号：US20140377798A1

  公开（公告）日：2014-12-25

  A process for the enzymatic regeneration of the redox cofactors NAD + /NADH and NADP + /NADPH in a one-pot reaction, wherein, as a result of at least two further enzymatically catalyzed redox reactions proceeding in the same reaction batch (product-forming reactions), one of the two redox cofactors accumulates in its reduced form and, respectively, the other one in its oxidized form, characterized in that a) in the regeneration reaction which reconverts the reduced cofactor into its original oxidized form, oxygen or a compound of general formula R 1 C(O)COOH is reduced, and b) in the regeneration reaction which reconverts the oxidized cofactor into its original reduced form, a compound of general formula R 2 CH(OH)R 3 is oxidized and wherein R 1 , R 2 and R 3 in the compounds have different meanings.