O-(4-amidinophenyl)oxyamine | 160725-44-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: O-(4-amidinophenyl)oxyamine
• 英文别名: 4-(Aminooxy)benzenecarboximidamide；4-aminooxybenzenecarboximidamide
• CAS: 160725-44-0
• 化学式: C₇H₉N₃O
• 分子量: 151.168
• InChiKey: YYCXWVIRBCZGAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  纳曲酮 、 O-(4-amidinophenyl)oxyamine 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 4-[(E)-[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxybenzenecarboximidamide
  参考文献：
  名称：

  Synthesis and opioid activities of some naltrexone oxime ethers

  摘要：

  A series of alkyl, cycloalkyl, aryl, and aralkyl ethers of naltrexone oxime was prepared. The compounds were examined in binding assays for mu, delta and kappa opioid receptor affinity. In addition, the naltrexone oxime ethers were studied in animal models that measure opioid agonist and antagonist activity. These studies led to the discovery of several compounds, notably phenethyl 3e and phenylpropyl 3f ethers of naltrexone, which have a 10-fold increase in potency at the kappa opioid receptor with potent mu and kappa agonist properties in vivo.

  DOI：

  10.1016/0223-5234(94)90027-2
• 作为产物：
  描述：

  4-(氨基氧基)苯甲腈 在 盐酸 、 氨 作用下， 以 乙醇 为溶剂， 反应 34.0h， 生成 O-(4-amidinophenyl)oxyamine
  参考文献：
  名称：

  Synthesis and opioid activities of some naltrexone oxime ethers

  摘要：

  A series of alkyl, cycloalkyl, aryl, and aralkyl ethers of naltrexone oxime was prepared. The compounds were examined in binding assays for mu, delta and kappa opioid receptor affinity. In addition, the naltrexone oxime ethers were studied in animal models that measure opioid agonist and antagonist activity. These studies led to the discovery of several compounds, notably phenethyl 3e and phenylpropyl 3f ethers of naltrexone, which have a 10-fold increase in potency at the kappa opioid receptor with potent mu and kappa agonist properties in vivo.

  DOI：

  10.1016/0223-5234(94)90027-2

文献信息

• Synthesis and opioid activities of some naltrexone oxime ethers
  作者：BJ Mavunkel、WJ Rzeszotarski、PV Kaplita、DL DeHaven-Hudkins

  DOI：10.1016/0223-5234(94)90027-2

  日期：1994.1

  A series of alkyl, cycloalkyl, aryl, and aralkyl ethers of naltrexone oxime was prepared. The compounds were examined in binding assays for mu, delta and kappa opioid receptor affinity. In addition, the naltrexone oxime ethers were studied in animal models that measure opioid agonist and antagonist activity. These studies led to the discovery of several compounds, notably phenethyl 3e and phenylpropyl 3f ethers of naltrexone, which have a 10-fold increase in potency at the kappa opioid receptor with potent mu and kappa agonist properties in vivo.