4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenyl)butanamide | 1190921-71-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenyl)butanamide
• 英文别名: 4-(3-aminopropanoylamino)-N-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]phenyl]butanamide
• CAS: 1190921-71-1
• 化学式: C₂₇H₃₇N₅O₆
• 分子量: 527.621
• InChiKey: BLCZHIFSBSOPKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  175
• 氢给体数：
  7
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  benzyl (3-((4-((4-(2-((2-(5-(benzyloxy)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)-2-hydroxyethyl)amino)-2-methylpropyl)phenyl)amino)-4-oxobutyl)amino)-3-oxopropyl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 以65%的产率得到4-(3-aminopropanamido)-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenyl)butanamide
  参考文献：
  名称：

  Studies towards topical selective β2-adrenoceptor agonists with a long duration of action

  摘要：

  beta(2)-Adrenoceptor agonists with basic and acidic groups attached via an alkyl linker to the phenyl ethanolamine core were prepared and investigated in vitro and in vivo. The compounds exhibited a high potency in a functional cellular assay and a bronchoprotective effect in a guinea pig model which lasted over the complete study period of 5 h. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.104

文献信息

• Studies towards topical selective β2-adrenoceptor agonists with a long duration of action
  作者：Thierry Bouyssou、Klaus Rudolf、Christoph Hoenke、Philipp Lustenberger、Andreas Schnapp、Ingo Konetzki

  DOI：10.1016/j.bmcl.2009.06.104

  日期：2009.9

  beta(2)-Adrenoceptor agonists with basic and acidic groups attached via an alkyl linker to the phenyl ethanolamine core were prepared and investigated in vitro and in vivo. The compounds exhibited a high potency in a functional cellular assay and a bronchoprotective effect in a guinea pig model which lasted over the complete study period of 5 h. (C) 2009 Elsevier Ltd. All rights reserved.