Paynantheine | 4697-66-9

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 柯楠因类生物碱
• 英文名称: Paynantheine
• 英文别名: methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
• CAS: 4697-66-9
• 化学式: C₂₃H₂₈N₂O₄
• 分子量: 396.5
• InChiKey: JGZKIGWXPPFMRG-CYSPOEIOSA-N

物化性质

• 沸点：
  561.8±50.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：30mg/mL； DMSO：30mg/mL；乙醇：30mg/mL；乙醇:PBS (pH7.2) (1:7): 0.125 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] DEUTERATED MITRAGYNINE ANALOGS AS SAFER OPIOID MODULATORS IN THE MITRAGYNINE CLASS<br/>[FR] ANALOGUES DE MITRAGYNINE DEUTÉRÉS POUR LE TRAITEMENT DE LA DOULEUR, DE TROUBLES DE L'HUMEUR ET DE TROUBLES LIÉS À L'USAGE DE SUBSTANCES
  申请人：UNIV COLUMBIA

  公开号：WO2020160280A1

  公开（公告）日：2020-08-06

  The present invention provides a compound having the structure: or a pharmaceutically acceptable salt or ester thereof, and methods of using the compound to treat pain, depressive disorders, mood disorders, anxiety disorders, opioid use disorder, and opioid withdrawal symptoms.

  本发明提供了一种具有以下结构的化合物：或其药学上可接受的盐或酯，以及使用该化合物治疗疼痛、抑郁障碍、情绪障碍、焦虑障碍、阿片类药物使用障碍和阿片类药物戒断症状的方法。
• Immunoassay for detecting kratom its constituents and their use
  申请人：Randox Laboratories Ltd.

  公开号：EP2769987A1

  公开（公告）日：2014-08-27

  The invention relates to the field of drug detection and describes antibody-based components methods and kits for the detection and quantification of alkaloids of the plant kratom. The invention is underpinned by novel antibodies which specifically bind to mitragynine alkaloids found in the kratom plant and their metabolites.

  本发明涉及药物检测领域，描述了用于检测和定量桔梗植物生物碱的基于抗体的成分方法和试剂盒。本发明以新型抗体为基础，这些抗体能特异性地与桔梗中的丝裂霉素生物碱及其代谢物结合。
• Mitragynine alkaloids as opioid receptor modulators
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US10961244B2

  公开（公告）日：2021-03-30

  The present invention provides a compound having the structure: or a pharmaceutically acceptable salt or ester thereof, and a method of treating a subject afflicted with pain, a depressive disorder, a mood disorder or an anxiety disorder by administering the compound to the subject.

  本发明提供了一种具有以下结构的化合物： 或其药学上可接受的盐或酯，以及通过向受试者施用该化合物来治疗受疼痛、抑郁障碍、情绪障碍或焦虑障碍困扰的受试者的方法。
• Immunoassay for Detecting Kratom, its Constituents and their Use
  申请人：Randox Laboratories Limited

  公开号：US20140242617A1

  公开（公告）日：2014-08-28

  The invention relates to the field of drug detection and describes antibody-based components methods and kits for the detection and quantification of alkaloids of the plant kratom. The invention is underpinned by novel antibodies which specifically bind to mitragynine alkaloids found in the kratom plant and their metabolites.
• MITRAGYNINE ALKALOIDS AS OPIOID RECEPTOR MODULATORS
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20190084983A1

  公开（公告）日：2019-03-21

  The present invention provides a compound having the structure: or a pharmaceutically acceptable salt or ester thereof, and a method of treating a subject afflicted with pain, a depressive disorder, a mood disorder or an anxiety disorder by administering the compound to the subject.