hapten B | 865438-45-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: hapten B
• 英文别名: (3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl-4a,8a-dimethyl-1,5-dioxo-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid；(2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylic acid
• CAS: 865438-45-5
• 化学式: C₂₂H₂₆O₈
• 分子量: 418.444
• InChiKey: JFOYNIOEQMKAOX-VOVNARLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  hapten B 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以50%的产率得到[(2S,4aR,6aS,7R,9S,10aS,10bR)-2-(furan-3-yl)-7-(hydroxymethyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromen-9-yl] acetate
  参考文献：
  名称：

  Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues

  摘要：

  Salvinorin A, a compound isolated from the plant Salvia divinorum, is a potent and highly selective agonist for the kappa Opioid receptor. For exploration of its structure and activity relationships, further modifications, such as reduction at the C(4) position, have been studied and a series of salvinorin A derivatives were prepared. These C(4) modified salvinorin A analogues were screened for binding and functional activities at the human K-opioid receptor and several new full agonists have been identified. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.051
• 作为产物：
  描述：

  丹酚 A 在 吡啶 、 lithium iodide 作用下， 反应 36.0h， 以140 mg的产率得到hapten B
  参考文献：
  名称：

  Salvinorin immunoassay

  摘要：

  本发明提供了一种用于检测或测定体外样品中salvinorin A、salvinorin B和/或其类似物的数量的免疫测定方法，一种用于salvinorin A、salvinorin B和/或其类似物的抗体，以及一种用于检测样品中salvinorin A、salvinorin B及其类似物存在或测定其数量的试剂盒。

  公开号：

  US09222949B2

文献信息

• Synthesis and in vitro pharmacological studies of C(4) modified salvinorin A analogues
  作者：David Y.W. Lee、Minsheng He、Leelakrishna Kondaveti、Lee-Yuan Liu-Chen、Zhongze Ma、Yulin Wang、Yong Chen、Jian-Guo Li、Cecile Beguin、William A. Carlezon、Bruce Cohen

  DOI：10.1016/j.bmcl.2005.06.092

  日期：2005.10

  Salvinorin A is the most potent naturally occurring opioid agonist with a high selectivity and affinity for kappa-opioid receptor. To explore its structure-activity relationships, modifications at the C(4) position have been studied and a series of salvinorin A derivatives were prepared. These C(4)-modified salvinorin A analogues were screened for binding and functional activities at the human kappa-opioid receptor and several potent new agonists have been identified. (c) 2005 Elsevier Ltd. All rights reserved.
• Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues
  作者：David Y.W. Lee、Minsheng He、Lee-Yuan Liu-Chen、Yulin Wang、Jian-Guo Li、Wei Xu、Zhongze Ma、William A. Carlezon、Bruce Cohen

  DOI：10.1016/j.bmcl.2006.08.051

  日期：2006.11

  Salvinorin A, a compound isolated from the plant Salvia divinorum, is a potent and highly selective agonist for the kappa Opioid receptor. For exploration of its structure and activity relationships, further modifications, such as reduction at the C(4) position, have been studied and a series of salvinorin A derivatives were prepared. These C(4) modified salvinorin A analogues were screened for binding and functional activities at the human K-opioid receptor and several new full agonists have been identified. (c) 2006 Elsevier Ltd. All rights reserved.
• Salvinorin immunoassay
  申请人：Fitzgerald Stephen P.

  公开号：US09222949B2

  公开（公告）日：2015-12-29

  The present invention provides an immunoassay method for detecting or determining the amount of salvinorin A, salvinorin B and/or analogues thereof in an in vitro sample, an antibody for salvinorin A, salvinorin B and/or analogues thereof and a kit for detecting the presence of or determining the amount of salvinorin A, salvinorin B and its analogues thereof in a sample.

  本发明提供了一种用于检测或测定体外样品中salvinorin A、salvinorin B和/或其类似物的数量的免疫测定方法，一种用于salvinorin A、salvinorin B和/或其类似物的抗体，以及一种用于检测样品中salvinorin A、salvinorin B及其类似物存在或测定其数量的试剂盒。