(4bS,8R,8aS,9aR,10S,13aR,13bR)-10-tert-butyl-7-cyclopropylmethyl-5,6,7,8,9,9a,10,13b-octahydro-10-methyl-8a,13a-ethano-4,8-methanobenzofuro[3,2-e][1,3]dioxino[4,5-g]isoquinolin-1-ol | 1567766-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4bS,8R,8aS,9aR,10S,13aR,13bR)-10-tert-butyl-7-cyclopropylmethyl-5,6,7,8,9,9a,10,13b-octahydro-10-methyl-8a,13a-ethano-4,8-methanobenzofuro[3,2-e][1,3]dioxino[4,5-g]isoquinolin-1-ol
• 英文别名: (1S,2S,6R,14R,15R,19S,20R)-19-tert-butyl-5-(cyclopropylmethyl)-19-methyl-13,16,18-trioxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.015,20.012,24]tetracosa-8(24),9,11-trien-11-ol
• CAS: 1567766-27-1
• 化学式: C₂₉H₃₉NO₄
• 分子量: 465.633
• InChiKey: OWNPADNXDQCYAS-IHFGGWKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  34.0
• 可旋转键数：
  2.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  51.16
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (4bS,8R,8aS,9aR,10S,13aR,13bR)-10-tert-butyl-7-cyclopropylmethyl-5,6,7,8,9,9a,10,13b-octahydro-10-methyl-8a,13a-ethano-4,8-methanobenzofuro[3,2-e][1,3]dioxino[4,5-g]isoquinolin-1-ol 、 溴甲苯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以54.5%的产率得到(4bS,8R,8aS,9aR,100S,13aR,13bR)-1-benzyloxy-10-tert-butyl-7-cyclopropylmethyl-5,6,7,8,9,9a,10,13b-octahydro-10-methyl-8a,13a-ethano-4,8-methanobenzofuro[3,2-e][1,3]dioxino[4,5-g]isoquinoline
  参考文献：
  名称：

  1,3-Dioxanomorphides and 1,3-Dioxanocodides

  摘要：

  该申请涉及公式I化合物及其药学上可接受的盐、前药和溶剂化物，其中G、R2-R5和在说明书中所定义。本发明还涉及将公式I化合物用作合成中间体或用于治疗对调节一个或多个阿片受体响应的疾病。本发明的某些化合物特别适用于治疗疼痛。

  公开号：

  US20140057932A1
• 作为产物：
  描述：

  叔丁啡 在 lithium aluminium tetrahydride 、 三甲基氯硅烷 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 48.0h， 生成 (4bS,8R,8aS,9aR,10S,13aR,13bR)-10-tert-butyl-7-cyclopropylmethyl-5,6,7,8,9,9a,10,13b-octahydro-10-methyl-8a,13a-ethano-4,8-methanobenzofuro[3,2-e][1,3]dioxino[4,5-g]isoquinolin-1-ol
  参考文献：
  名称：

  1,3-Dioxanomorphides and 1,3-Dioxanocodides

  摘要：

  该申请涉及公式I化合物及其药学上可接受的盐、前药和溶剂化物，其中G、R2-R5和在说明书中所定义。本发明还涉及将公式I化合物用作合成中间体或用于治疗对调节一个或多个阿片受体响应的疾病。本发明的某些化合物特别适用于治疗疼痛。

  公开号：

  US20140057932A1

文献信息

• 1,3-dioxanomorphides and 1,3-dioxanocodides
  申请人：Rhodes Technologies

  公开号：US09315514B2

  公开（公告）日：2016-04-19

  The application is directed to compounds of Formula I and pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein G, R2-R5, and are defined as set forth in the specification. The invention is also directed to use of compounds of Formula I as synthetic intermediates or to treat disorders responsive to the modulation of one or more opiopid receptors. Certain compounds of the present invention are especially useful for treating pain.

  该申请涉及公式I化合物及其药学上可接受的盐、前药和溶剂化物，其中G、R2-R5和在说明书中定义。本发明还涉及将公式I化合物用作合成中间体或用于治疗对一种或多种阿片受体调节敏感的疾病。本发明的某些化合物特别适用于治疗疼痛。
• 1,3-DIOXANOMORPHIDES AND 1,3-DIOXANOCODIDES
  申请人：Rhodes Technologies

  公开号：EP2888267B1

  公开（公告）日：2017-01-18
• US9315514B2
  申请人：——

  公开号：US9315514B2

  公开（公告）日：2016-04-19
• [EN] 1,3-DIOXANOMORPHIDES AND 1,3-DIOXANOCODIDES<br/>[FR] 1,3-DIOXANOMORPHIDES ET 1,3-DIOXANOCODIDES
  申请人：RHODES TECHNOLOGIES

  公开号：WO2014033530A1

  公开（公告）日：2014-03-06

  The application is directed to compounds of Formula (I) and pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein G, R2-R5, and (a) are defined as set forth in the specification. The invention is also directed to use of compounds of Formula (I) as synthetic intermediates or to treat disorders responsive to the modulation of one or more opiopid receptors. Certain compounds of the present invention are especially useful for treating pain.
• 1,3-Dioxanomorphides and 1,3-Dioxanocodides
  申请人：Rhodes Technologies

  公开号：US20140057932A1

  公开（公告）日：2014-02-27

  The application is directed to compounds of Formula I and pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein G, R 2 -R 5 , and are defined as set forth in the specification. The invention is also directed to use of compounds of Formula I as synthetic intermediates or to treat disorders responsive to the modulation of one or more opiopid receptors. Certain compounds of the present invention are especially useful for treating pain.

  该申请涉及公式I化合物及其药学上可接受的盐、前药和溶剂化物，其中G、R2-R5和在说明书中所定义。本发明还涉及将公式I化合物用作合成中间体或用于治疗对调节一个或多个阿片受体响应的疾病。本发明的某些化合物特别适用于治疗疼痛。