| 384820-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• CAS: 384820-56-8
• 化学式: C₂₉H₂₇ClN₂O₃
• 分子量: 486.998
• InChiKey: MUWNONLJXQJWBU-FQYQUSJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.97
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  65.82
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 三甲基硅烷化重氮甲烷 在 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Derivatives of 17-(2-methylallyl)-substituted noroxymorphone: variation of the delta address and its effects on affinity and selectivity for the delta opioid receptor

  摘要：

  In an effort to establish the importance of the N-(2-methylallyl) substituent in the noroxymorphone series, several derivatives have been synthesized, retaining that N-substituent and modifying the delta address moiety. A few compounds showed moderate binding affinity and selectivity for the delta receptor; none displayed a pharmacological profile as exceptional as N-(2-methylallyl)noroxymorphindole, A second study showed that 3-O-methylation of all derivatives decreases binding affinity. The present results indicate that only a combination of the N-(2-methylallyl) group and an indole delta address provided high selectivity for the delta receptor. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00580-7
• 作为产物：
  描述：

  14-羟基二氢降吗啡酮盐酸盐 在 ammonium acetate 、 碳酸氢钠 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成
  参考文献：
  名称：

  Derivatives of 17-(2-methylallyl)-substituted noroxymorphone: variation of the delta address and its effects on affinity and selectivity for the delta opioid receptor

  摘要：

  In an effort to establish the importance of the N-(2-methylallyl) substituent in the noroxymorphone series, several derivatives have been synthesized, retaining that N-substituent and modifying the delta address moiety. A few compounds showed moderate binding affinity and selectivity for the delta receptor; none displayed a pharmacological profile as exceptional as N-(2-methylallyl)noroxymorphindole, A second study showed that 3-O-methylation of all derivatives decreases binding affinity. The present results indicate that only a combination of the N-(2-methylallyl) group and an indole delta address provided high selectivity for the delta receptor. Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00580-7