3,7-bis[2-(4-nitrophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane | 389885-75-0

• 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: 3,7-bis[2-(4-nitrophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane
• 英文别名: 3,7-bis(4-nitrophenethyl)-3,7-diazabicyclo[3.3.1]nonane；3,7-Diazabicyclo[3.3.1]nonane, 3,7-bis[2-(4-nitrophenyl)ethyl]-
• CAS: 389885-75-0
• 化学式: C₂₃H₂₈N₄O₄
• 分子量: 424.5
• InChiKey: HFRRBFCPKQVFQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  98.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,7-bis[2-(4-nitrophenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane 在 (1,5-cyclooctadiene)[bis(methyldiphenylphosphine)]iridium(I) hexafluorophosphate 超重氢 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 生成 3,7-bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane
  参考文献：
  名称：

  US2007/48215

  摘要：

  公开号：

文献信息

• New bispidine compounds and their use in the treatment of cardiac arrhythmias
  申请人：——

  公开号：US20030212095A1

  公开（公告）日：2003-11-13

  There is provided compounds of formula (I), wherein R 1 , R 2 , R 3a , R 3b and R 41 to R 46 have meanings given in the description, which are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias. 1

  提供了化合物的结构式(I)，其中R1、R2、R3a、R3b和R41至R46的含义如描述中所示，这些化合物在预防和治疗心律失常方面具有用途，特别是房性和室性心律失常。
• CHEMICAL COMPOUND AND ASSAY
  申请人：AstraZeneca AB

  公开号：EP1678499B1

  公开（公告）日：2008-06-25
• Chemical compound and assay
  申请人：Springthorpe Brian

  公开号：US20070048215A1

  公开（公告）日：2007-03-01

  The present invention relates to a labelled ligand compound that is useful in a method of identifying, testing and/or screening of compounds modulating ion channels, in particular myocardial I?Kr# 191 channels such as those encoded by ERG, including hERG. The ligand compound is therefore of use to evaluate the affinity of preclinical compounds at the ERG potassium channel. The or salts, hydrates or solvates thereof and comprising at least one radiolabel: Formula (I).
• [EN] CHEMICAL COMPOUND AND ASSAY<br/>[FR] COMPOSE CHIMIQUE ET DOSAGE
  申请人：ASTRAZENECA AB

  公开号：WO2005037052A2

  公开（公告）日：2005-04-28

  The present invention relates to a labelled ligand compound that is useful in a method of identifying, testing and/or screening of compounds modulating ion channels, in particular myocardial I?Kr#191 channels such as those encoded by ERG, including hERG. The ligand compound is therefore of use to evaluate the affinity of preclinical compounds at the ERG potassium channel. The ligand compound is a compound having Formula I or salts, hydrates or solvates thereof and comprising at least one radiolabel: Formula (I).