Propranolol-5-phenyl-5-ethylbarbiturat | 27066-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Propranolol-5-phenyl-5-ethylbarbiturat
• 英文别名: 5-ethyl-5-phenylbarbituric acid, compound with 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol (1:1)；Propranolol phenobarbital；5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
• CAS: 27066-98-4
• 化学式: C₁₂H₁₂N₂O₃*C₁₆H₂₁NO₂
• 分子量: 491.587
• InChiKey: TXMSMBUTLMUCIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Methods and compound mixtures for determining protein activity using nmr spectroscopy
  申请人：Clark Bill

  公开号：US20050233470A1

  公开（公告）日：2005-10-20

  The invention relates to methods for determining protein activity using NMR spectroscopy. The present invention provides a method for determining protein activity in vivo using probe compounds and enhancing the nuclear polarisation of NMR active nuclei present in the probe compounds (hereinafter termed “hyperpolarisation”) prior to NMR analysis. The invention also provides mixtures of probe compounds for the above-mentioned method.

  本发明涉及利用核磁共振光谱测定蛋白质活性的方法。本发明提供了一种利用探针化合物测定体内蛋白质活性的方法，并在核磁共振分析之前增强探针化合物中存在的核磁共振活性核的核极化（以下称为 "超极化"）。本发明还提供了用于上述方法的探针化合物混合物。
• METHODS AND COMPOUND MIXTURES FOR DETERMINING PROTEIN ACTIVITY USING NMR SPECTROSCOPY
  申请人：Amersham Health AS

  公开号：EP1497448A1

  公开（公告）日：2005-01-19
• METHOD FOR PHENOTYPING USING NMR SPECTROSCOPY
  申请人：Amersham Health AS

  公开号：EP1501940A1

  公开（公告）日：2005-02-02
• Method for phenotyping using nmr spectroscopy
  申请人：Clark Bill

  公开号：US20050232864A1

  公开（公告）日：2005-10-20

  The invention relates to methods for phenotyping by determining protein activity in vivo using at least one probe compound and enhancing the nuclear polarisation of NMR active nuclei present in the probe compound (hereinafter termed “hyperpolarisation”) prior to NMR analysis.
• LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM
  申请人：ST. ANNA KINDERKREBSFORSCHUNG

  公开号：US20200390813A1

  公开（公告）日：2020-12-17

  A ligand regulated protein-protein interaction system based on a lipocalin-fold molecule including: (a) a lipocalin-fold molecule; (b) a lipocalin-fold ligand with a low molecular weight of 1500 Da or below; and (c) a lipocalin-fold binding interaction partner; wherein the lipocalin-fold molecule can bind to the lipocalin-fold ligand; and wherein the lipocalin-fold molecule bound to the lipocalin-fold ligand binds to the lipocalin-fold binding interaction partner with an affinity which is at least 10-fold higher than the affinity of the lipocalin-fold molecule not bound to the lipocalin-fold ligand; and wherein the lipocalin-fold binding interaction partner is not a naturally occurring protein which has an affinity of <10 μM to any naturally occurring lipocalin-fold molecule in the presence of any lipocalin-fold ligand.