11-[2-[4-[4-(二(2-甲基丙基)氨基)丁基]苯基]乙酰基]-5H-苯并[b][1,4]苯并二氮杂卓-6-酮 | 156586-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 11-[2-[4-[4-(二(2-甲基丙基)氨基)丁基]苯基]乙酰基]-5H-苯并[b][1,4]苯并二氮杂卓-6-酮
• 英文名称: 5-<<4-<4-(diisobutylamino)butyl>-1-phenyl>acetyl>-10,11-dihydro-5H-dibenzo<1,4>diazepin-11-one
• 英文别名: DIBD；5-((4-(4-(Diisobutylamino)butyl)-1-phenyl)acetyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepin-11-one；11-[2-[4-[4-[bis(2-methylpropyl)amino]butyl]phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
• CAS: 156586-94-6
• 化学式: C₃₃H₄₁N₃O₂
• 分子量: 511.707
• InChiKey: NWABYTQGWGJUFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  646.9±54.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  38
• 可旋转键数：
  11
• 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：

  二异丁胺 、 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17%的产率得到11-[2-[4-[4-(二(2-甲基丙基)氨基)丁基]苯基]乙酰基]-5H-苯并[b][1,4]苯并二氮杂卓-6-酮
  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

• METHODS OF DIAGNOSIS AND TREATMENT FOR METABOLIC DISORDERS
  申请人：Williams Mark

  公开号：US20100008899A1

  公开（公告）日：2010-01-14

  The invention relates to pharmaceutical compositions comprising tissue kallikrem (TK), and optionally a diabetes drug, a method of screening for a metabolic disorder by determining the concentration of TK and insulin in a biological sample from a test subject, a method of screening for a therapeutic agent for the treatment or prevention of a metabolic disorder, and a method for treating or preventing a metabolic disorder using a pharmaceutical composition comprising TK.
• US8673964B2
  申请人：——

  公开号：US8673964B2

  公开（公告）日：2014-03-18
• 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.