(4bR,8R,8aS,14bR)-8a-amino-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-1-ol | 346601-05-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: (4bR,8R,8aS,14bR)-8a-amino-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-1-ol
• CAS: 346601-05-6
• 化学式: C₂₆H₂₇N₃O₂
• 分子量: 413.519
• InChiKey: YMIFJRJLTCPKMY-IFKAHUTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  74.51
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (4bR,8R,8aS,14bR)-8a-amino-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-1-ol 在 4-二甲氨基吡啶 、 甲酸 、 TEA 、 乙酸酐 、 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Selective δ-opioid receptor ligands: potential PET ligands based on naltrindole

  摘要：

  Two series of delta -selective ligands related to the prototypic delta -antagonist naltrindole have been prepared and evaluated in opioid binding assays with the aim of developing new PET ligands for the delta -opioid receptor. One compound (5d) had significantly here selectivity than naltrindole, but with substantially reduced binding affinity. For those compounds retaining similar affinity to naltrindole. those having ethyl and fluoroethyl substituents afforded the highest levels of selectivity. However, none of the compounds combined the high level of affinity and selectivity ideally suited to the development of an imaging agent. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00112-3
• 作为产物：
  描述：

  14-amino dihydrocodeinone 在 盐酸 、 六甲基磷酰三胺 、 溶剂黄146 、 1-丙烷硫醇钠 作用下， 反应 1.5h， 生成 (4bR,8R,8aS,14bR)-8a-amino-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-1-ol
  参考文献：
  名称：

  Selective δ-opioid receptor ligands: potential PET ligands based on naltrindole

  摘要：

  Two series of delta -selective ligands related to the prototypic delta -antagonist naltrindole have been prepared and evaluated in opioid binding assays with the aim of developing new PET ligands for the delta -opioid receptor. One compound (5d) had significantly here selectivity than naltrindole, but with substantially reduced binding affinity. For those compounds retaining similar affinity to naltrindole. those having ethyl and fluoroethyl substituents afforded the highest levels of selectivity. However, none of the compounds combined the high level of affinity and selectivity ideally suited to the development of an imaging agent. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00112-3