| 1103501-76-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• CAS: 1103501-76-3
• 化学式: C₂₃H₃₁NO₅S
• 分子量: 433.569
• InChiKey: QWHQCPMCYKHNBM-SSGKUCQKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 生成 (4bR,6R,8aS,9R)-6-(azidomethyl)-11-(cyclopropylmethyl)-3-methoxy-5,6,7,8,9,10-hexahydro-9,4b-(epiminoethano)-6,8a-epoxyphenanthrene
  参考文献：
  名称：

  Synthesis of a novel 6,14-epoxymorphinan derivative and its pharmacology

  摘要：

  A novel 6,14-epoxymorphinan benzamide derivative (NS22) was synthesized, which showed opioid kappa receptor agonistic activity in the [(35)S]GTP gamma S binding assay. The antinociceptive effect of NS22 was evaluated in the tail-flick and the hot-plate test. This compound showed a potent antinociceptive activity in mice by sc administration, which was attenuated with nor-BNI (selective opioid kappa receptor antagonist). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.081
• 作为产物：
  描述：

  、 甲基磺酰氯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Synthesis of a novel 6,14-epoxymorphinan derivative and its pharmacology

  摘要：

  A novel 6,14-epoxymorphinan benzamide derivative (NS22) was synthesized, which showed opioid kappa receptor agonistic activity in the [(35)S]GTP gamma S binding assay. The antinociceptive effect of NS22 was evaluated in the tail-flick and the hot-plate test. This compound showed a potent antinociceptive activity in mice by sc administration, which was attenuated with nor-BNI (selective opioid kappa receptor antagonist). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.081