(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-hydroxy-5-iminopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-hydroxy-5-iminopentanoic acid
• 化学式: C₉₉H₁₅₅N₃₁O₂₃
• 分子量: 2147.5
• InChiKey: JMNJYGMAUMANNW-FIXZTSJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.6
• 重原子数：
  153
• 可旋转键数：
  72
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  922
• 氢给体数：
  31
• 氢受体数：
  29

反应信息

• 作为反应物：
  描述：

  、 、 、 (+)-(5Α,7Α,8Β)-N-甲基-N-[7-(1-吡咯烷基)-1-氧螺[4.5]十二-8-基]-苯乙酰胺 、 纳洛酮 、 去甲-BINALTORPHIMINE二盐酸盐 、 吗啡 、 纳美芬 、 (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-5-hydroxy-5-iminopentanoic acid 、 L-酪氨酰-D-丙氨酰甘氨酰-N-(2-羟基乙基)-NALPHA-甲基-L-苯丙氨酰胺 、 生成 (±)-ibogaine
  参考文献：
  名称：

  METHODS AND COMPOSTIONS FOR POTENTIATING THE ACTION OF OPIOID ANALGESICS USING IBOGA ALKALOIDS

  摘要：

  使用伊波卡生物碱或其药用可接受盐和/或溶剂的增强量，且不会使患者QT间期延长超过约50毫秒的方法和组合物，以增强正在接受或计划接受阿片类镇痛治疗的患者的阿片类镇痛剂效果。

  公开号：

  US20160220579A1

文献信息

• METHODS AND COMPOSITIONS FOR REDUCING TOLERANCE TO OPIOID ANALGESICS
  申请人：DemeRx, Inc.

  公开号：US20150258108A1

  公开（公告）日：2015-09-17

  A method for modulating tolerance to an opioid analgesic in a patient undergoing opioid analgesic therapy, the method comprising interrupting or administering concurrently with said opioid analgesic therapy an amount of noribogaine, noribogaine derivative, or pharmaceutically acceptable salt and/or solvate thereof that provides a therapeutic serum concentration of noribogaine. In some embodiments, the therapeutic average serum concentration is 50 ng/mL to 180 ng/mL, said concentration being sufficient to re-sensitize the patient to the opioid as an analgesic while maintaining a QT interval of less than about 500 ms during said treatment.

  一种用于调节接受阿片类镇痛治疗的患者对阿片类镇痛剂的耐受性的方法，该方法包括在阿片类镇痛治疗期间中断或同时给予一定量的诺利波甲胺、诺利波甲胺衍生物或其药学上可接受的盐和/或溶剂，以提供治疗性血清浓度的诺利波甲胺。在某些实施例中，治疗性平均血清浓度为50ng/mL至180ng/mL，该浓度足以使患者对阿片类镇痛剂重新敏感作为镇痛剂，同时在治疗期间维持QT间期小于约500ms。
• METHODS AND COMPOSTIONS FOR POTENTIATING THE ACTION OF OPIOID ANALGESICS USING IBOGA ALKALOIDS
  申请人：DemeRx, Inc.

  公开号：US20160220579A1

  公开（公告）日：2016-08-04

  Methods and compositions for potentiating the effect of an opioid analgesic in a patient undergoing or planning to undergo opioid analgesic therapy using a potentiating amount of iboga alkaloid or pharmaceutically acceptable salt and/or solvate thereof that does not prolong the patient's QT interval by more than about 50 milliseconds.

  使用伊波卡生物碱或其药用可接受盐和/或溶剂的增强量，且不会使患者QT间期延长超过约50毫秒的方法和组合物，以增强正在接受或计划接受阿片类镇痛治疗的患者的阿片类镇痛剂效果。