3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide | 270919-36-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide
• 英文别名: 3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)-N-(2-phenylethyl)propanamide
• CAS: 270919-36-3
• 化学式: C₂₀H₂₆N₂O₂
• 分子量: 326.439
• InChiKey: LUOMARBMGVOTCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide 、 环丙甲醛 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-dimethyl-N-phenethylpropionamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 3-amino-3-phenylpropionamide derivatives as novel μ opioid receptor ligands

  摘要：

  3-Amino-3-phenylpropionamide derivatives were produced as small molecule mimics of the cyclic octapeptide octreotide from readily available imine 1. The compounds exhibit high affinity for the mu opioid receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00034-2
• 作为产物：
  描述：

  3-(3-Methoxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 3-amino-3-phenylpropionamide derivatives as novel μ opioid receptor ligands

  摘要：

  3-Amino-3-phenylpropionamide derivatives were produced as small molecule mimics of the cyclic octapeptide octreotide from readily available imine 1. The compounds exhibit high affinity for the mu opioid receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00034-2

文献信息

• 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives
  申请人：Pfizer Products Inc.

  公开号：EP1055665B1

  公开（公告）日：2003-10-22
• Design, synthesis and biological evaluation of 3-amino-3-phenylpropionamide derivatives as novel μ opioid receptor ligands
  作者：Martin P. Allen、James F. Blake、Dianne K. Bryce、Mary E. Haggan、Spiros Liras、Stafford McLean、Barb E. Segelstein

  DOI：10.1016/s0960-894x(00)00034-2

  日期：2000.3

  3-Amino-3-phenylpropionamide derivatives were produced as small molecule mimics of the cyclic octapeptide octreotide from readily available imine 1. The compounds exhibit high affinity for the mu opioid receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.