(3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one | 1037210-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one
• CAS: 1037210-30-2
• 化学式: C₃₂H₅₂N₂O₂
• 分子量: 496.777
• InChiKey: POFBKYNDHOKPQR-ZSLLUBNPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one 在 palladium 10% on activated carbon 氢气 作用下， 以 吡啶 为溶剂， 生成 (3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-4'-[2-(dimethylamino)ethyl]-3',6',11,12b-tetramethylspiro[2,4,4a,5,6,6a,6b,7,8,10,12,12a-dodecahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one
  参考文献：
  名称：

  WO2008/83248

  摘要：

  公开号：

文献信息

• Transfer Hydrogenation of Cyclopamine Analogs
  申请人：Genov Daniel G.

  公开号：US20120065399A1

  公开（公告）日：2012-03-15

  Provided herein is a process for the transfer-hydrogenation of ketone analogs of members of the jervine type of Veratrum alkaloids, such as cyclopamine. Also provided herein are novel ruthenium transfer-hydrogenation catalysts.

  本文提供了一种用于将似jervine型Veratrum生物碱的酮类似物（如环毒素）进行转移氢化的方法。本文还提供了新型的钌转移氢化催化剂。
• [EN] TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS<br/>[FR] HYDROGÉNATION PAR TRANSFERT D'ANALOGUES DE CYCLOPAMINE
  申请人：INFINITY PHARMACEUTICALS INC

  公开号：WO2012037217A1

  公开（公告）日：2012-03-22

  Provided herein is a process for the transfer-hydrogenation of ketone analogs of members of the jervine type of Veratrum alkaloids, such as cyclopamine. Also provided herein are novel ruthenium transfer-hydrogenation catalysts.

  本文提供了一种用于转移氢化物的过程，适用于jervine型Veratrum生物碱的酮类似物，如环状毒草碱。本文还提供了新颖的铑转移氢化催化剂。
• TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS
  申请人：Infinity Pharmaceuticals, Inc.

  公开号：US20170029433A1

  公开（公告）日：2017-02-02

  Provided herein is a process for the transfer-hydrogenation of ketone analogs of members of the jervine type of Veratrum alkaloids, such as cyclopamine. Also provided herein are novel ruthenium transfer-hydrogenation catalysts.

  本文提供了一种将拟麻酮类似物，如环状毒草碱转移氢化的方法，例如环状毒草碱。本文还提供了新型的钌催化剂用于转移氢化反应。
• Methods of use for cyclopamine analogs
  申请人：Infinity Discovery, Inc.

  公开号：EP2368551A2

  公开（公告）日：2011-09-28

  The invention provides methods for treating various conditions using derivatives of cyclopamine having the following formula:

  本发明提供了使用具有下式的环丙胺衍生物治疗各种疾病的方法：
• Cyclopamine analogs
  申请人：Infinity Discovery, Inc.

  公开号：EP2443926A2

  公开（公告）日：2012-04-25

  The invention provides novel derivatives of cyclopamine having the following formula: wherein the nature of the moieties R1, R2, R3, R4, R7, R7', R8 and R9 is defined in appended claim 1.

  本发明提供了具有下式的环丙胺新型衍生物： 其中分子 R1、R2、R3、R4、R7、R7'、R8 和 R9 的性质在所附权利要求 1 中定义。