| 192697-89-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• CAS: 192697-89-5
• 化学式: C₂₈H₃₆NO₇P
• 分子量: 529.57
• InChiKey: UDMHVHUVNAFAKE-UMPVPAAESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  37.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102.37
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 hapten GNL
  参考文献：
  名称：

  Cocaine catalytic antibodies: the primary importance of linker effects

  摘要：

  Current treatments for cocaine addiction are not effective. The development of a catalytic monoclonal antibody (mAb) provides a strategy for not only binding, but also degrading cocaine, which offers a broad-based therapy. Hapten design is the central element for programming antibody catalysis. The characteristics of the linker used in classic transition-state analogue phosphonate haptens were shown to be important for obtaining mAbs that hydrolyze the benzoate ester of cocaine. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00659-4
• 作为产物：
  描述：

  芽子碱盐酸盐 在 吡啶 、 sodium hydroxide 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 生成
  参考文献：
  名称：

  Cocaine catalytic antibodies: the primary importance of linker effects

  摘要：

  Current treatments for cocaine addiction are not effective. The development of a catalytic monoclonal antibody (mAb) provides a strategy for not only binding, but also degrading cocaine, which offers a broad-based therapy. Hapten design is the central element for programming antibody catalysis. The characteristics of the linker used in classic transition-state analogue phosphonate haptens were shown to be important for obtaining mAbs that hydrolyze the benzoate ester of cocaine. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00659-4