11-[2-[4-[4-(dibutylamino)butyl]phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 11-[2-[4-[4-(dibutylamino)butyl]phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
• 化学式: C₃₃H₄₁N₃O₂
• 分子量: 511.707
• InChiKey: ZSPNICUKXGTFLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二正丁胺 、 11-[2-[4-(4-bromobutyl)phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以57%的产率得到11-[2-[4-[4-(dibutylamino)butyl]phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
  参考文献：
  名称：

  Novel potent and m2-selective antimuscarinic compounds which penetrate the blood-brain barrier

  摘要：

  A series of 5-[[[(dialkylamino)alkyl]-1-phenyl]acetyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-11-ones 1 were prepared as potential m(2)-selective ligands. The binding affinities and selectivities of these compounds for the muscarinic cholinergic receptor subtypes were determined. The best m(2)-selective antimuscarinic agent studied was 5-[[4-[4-(diisobutylamino)butyl]-1-phenyl]acetyl]-10,11-dihydro-5H-dibenzo[ 1h (DIBD), which caused a significant reduction in (R,R)-3-quinuclidinyl-[I-125] -4-iodobenzilate ((R,R)-[I-125]-4IQNB) binding in brain regions known to contain a high percentage of m(2)-receptors. Thus DIED penetrates the blood-brain barrier and exhibits in vivo selectivity for the m, subtype. In contrast, neither DIBA,AF-DX 116, nor AQ-RA 741 caused a significant m(2)-selective reduction in (R,R)-[I-125]-4IQNB binding in the brain regions studied.

  DOI：

  10.1016/0223-5234(96)88210-9

文献信息

• Novel potent and m2-selective antimuscarinic compounds which penetrate the blood-brain barrier
  作者：VI Cohen、B Jin、MS Gitler、RA de la Cruz、SF Boulay、VK Sood、BR Zeeberg、RC Reba

  DOI：10.1016/0223-5234(96)88210-9

  日期：1995.1

  A series of 5-[[[(dialkylamino)alkyl]-1-phenyl]acetyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-11-ones 1 were prepared as potential m(2)-selective ligands. The binding affinities and selectivities of these compounds for the muscarinic cholinergic receptor subtypes were determined. The best m(2)-selective antimuscarinic agent studied was 5-[[4-[4-(diisobutylamino)butyl]-1-phenyl]acetyl]-10,11-dihydro-5H-dibenzo[ 1h (DIBD), which caused a significant reduction in (R,R)-3-quinuclidinyl-[I-125] -4-iodobenzilate ((R,R)-[I-125]-4IQNB) binding in brain regions known to contain a high percentage of m(2)-receptors. Thus DIED penetrates the blood-brain barrier and exhibits in vivo selectivity for the m, subtype. In contrast, neither DIBA,AF-DX 116, nor AQ-RA 741 caused a significant m(2)-selective reduction in (R,R)-[I-125]-4IQNB binding in the brain regions studied.