Salvinorinyl-2-trifluoroacetate | 864378-88-1

• 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: Salvinorinyl-2-trifluoroacetate
• 英文别名: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-(2,2,2-trifluoroacetyl)oxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
• CAS: 864378-88-1
• 化学式: C₂₃H₂₅F₃O₈
• 分子量: 486.442
• InChiKey: ZPMWLJMVHFDJNI-XOKLNVNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Salvinorinyl-2-trifluoroacetate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and in vitro pharmacological studies of new C(2) modified salvinorin A analogues

  摘要：

  Salvinorin A is the most potent naturally occurring opioid agonist yet discovered with high selectivity and affinity for kappa-opioid receptor. To explore its structure and activity relationships, a series of salvinorin A derivatives modified at the C(2) position were prepared and studied. These salvinorin A derivatives were screened for binding and functional activities at the human K-opioid receptor. Compound 4, containing a methoxymethyl group at the 2-position, was a full kappa-agonist with an EC50 value at 0.6 nM, which is about 7 times more potent than salvinorin A. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.048
• 作为产物：
  描述：

  丹酚 A 在 4-二甲氨基吡啶 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 Salvinorinyl-2-trifluoroacetate
  参考文献：
  名称：

  Stewart, D. Jeremy; Fahmy, Hesham; Roth, Bryan L., Arzneimittel-Forschung/Drug Research, 2006, vol. 56, # 4, p. 269 - 275

  摘要：

  DOI：

文献信息

• Synthesis and in vitro pharmacological studies of new C(2) modified salvinorin A analogues
  作者：David Y.W. Lee、Vishnu V.R. Karnati、Minsheng He、Lee-Yuan Liu-Chen、Leelakrishna Kondaveti、Zhongze Ma、Yulin Wang、Yong Chen、Cecile Beguin、William A. Carlezon、Bruce Cohen

  DOI：10.1016/j.bmcl.2005.05.048

  日期：2005.8

  Salvinorin A is the most potent naturally occurring opioid agonist yet discovered with high selectivity and affinity for kappa-opioid receptor. To explore its structure and activity relationships, a series of salvinorin A derivatives modified at the C(2) position were prepared and studied. These salvinorin A derivatives were screened for binding and functional activities at the human K-opioid receptor. Compound 4, containing a methoxymethyl group at the 2-position, was a full kappa-agonist with an EC50 value at 0.6 nM, which is about 7 times more potent than salvinorin A. (c) 2005 Elsevier Ltd. All rights reserved.
• Stewart, D. Jeremy; Fahmy, Hesham; Roth, Bryan L., Arzneimittel-Forschung/Drug Research, 2006, vol. 56, # 4, p. 269 - 275
  作者：Stewart, D. Jeremy、Fahmy, Hesham、Roth, Bryan L.、Yan, Feng、Zjawiony, Jordan K.

  DOI：——

  日期：——