| 1420977-78-1

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 依波格型生物碱
• CAS: 1420977-78-1
• 化学式: C₁₉H₂₃ClN₂
• 分子量: 314.858
• InChiKey: ZLXKJEFXAYEFEX-RYRUWHOVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  19.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  noribogaine hydrochloride 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 三乙胺 、 copper dichloride 作用下， 以 1,4-二氧六环 、 甲醇 、 水 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  [EN] IBOGAINE ANALOGS AS THERAPEUTICS FOR NEUROLOGICAL AND PSYCHIATRIC DISORDERS
  [FR] ANALOGUES DE L'IBOGAÏNE EN TANT QU'AGENTS THÉRAPEUTIQUES POUR DES TROUBLES NEUROLOGIQUES ET PSYCHIATRIQUES

  摘要：

  The present invention provides a compound having the structure: formula wherein X1 is H or alkyl; Y1 is H, -alkyl, -alkenyl, -alkynyl, alkylaryl, -cycloalkyl, - aryl, heteroaryl, -alkyl-Y3 or -alkyl-C(O)Y4, and Y2 is H, -alkyl, -alkenyl, -alkynyl, alkylaryl, -cycloalkyl, - aryl, heteroaryl, -alkyl-Yg or -alkyl-C(O)Y4, wherein each Y3 is, independently, -OH, -O(alkyl), -NH2, - NH(alkyl) or halogen, and each Y4 is, independently, -OH, -O(alkyl), -NH2, -NH(alkyl) or -N(alkyl)2; Z1 is H, -alkyl, -alkenyl, -alkynyl, alkylaryl, -aryl, heteroaryl, -alkyl-Zg or -alkyl-C(O)Z4, and Z2 is H, -alkyl, -alkenyl, -alkynyl, alkylaryl, -aryl, heteroaryl, -alkyl-Zg or -alkyl-C(O)Z4, wherein each Z3 is, independently, -OH, -O(alkyl), -NH2, - NH(alkyl) or halogen, and each Z4 is, independently, -OH, -O(alkyl), -NH2, -NH(alkyl) or -N(alkyl)2; R1, R2, R3 and R4 are each, independently, -H, -F, -Cl, -Br, -I, -NO2, -CN, -CF3, -CF2H, -OCF3, -(alkyl), -(alkenyl), -(alkynyl), -(aryl), -(heteroaryl), -OH, -OAc, -O-(alkyl), -O-(alkenyl), - O-(alkynyl), -O-(aryl), -O-(heteroaryl), -SH, -S-(alkyl), S (alkenyl), -S-(alkynyl), -S-(aryl), -S-(heteroaryl), -NH2, -NH- (alkyl), -NH-(alkenyl), -NH-(alkynyl), -NH-(aryl), -NH- (heteroaryl), -C(0)R5, -S(O)R5, -SO2R5, -NHSO2R5, -0C(0)R5, SC(0)R5, -NHC(O)R6 or -NHC(S)R6, wherein each R5 is, independently, -(alkyl), -(aryl), (heteroaryl), -OH, -O(alkyl), -NH2, -NH(alkyl) or N(alkyl)2, and wherein each R6 is, independently, -(alkyl), -(aryl), -O- (alkyl), -S-(alkyl), -S-(aryl), -NH2, -NH(alkyl) or N(alkyl)2, wherein the compound is other than any of ibogaine, ibogamine, N- methyl-ibogaine, N-methyl-noribogaine, N-ethyl-noribogaine, N-methyl- ibogamine or 10-ethoxy-ibogamine, or a pharmaceutically acceptable salt of the compound, and methods of using the composition to treat pain, depressive disorders, mood disorders, anxiety disorders, substance use disorders, opioid use disorders, and opioid withdrawal symptoms.

  公开号：

  WO2022020352A1