Ethyl-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-carbamic acid ethyl ester | 189938-90-7

• 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: Ethyl-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-carbamic acid ethyl ester
• 英文别名: ethyl N-ethyl-N-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]carbamate
• CAS: 189938-90-7
• 化学式: C₂₉H₃₈N₄O₄
• 分子量: 506.645
• InChiKey: KNYTYCPABXXTHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  82.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-carbamic acid ethyl ester 在 sodium hydroxide 、 碘代三甲硅烷 、 四丁基硫酸氢铵 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.03h， 生成 N-Ethyl-4-fluoro-N-[4-(1-{2-[10-(4-fluoro-benzoyl)-11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl]-2-oxo-ethyl}-piperidin-4-yl)-butyl]-benzamide
  参考文献：
  名称：

  Synthesis and evaluation of halogenated dibenzodiazepines as muscarinic receptor ligands

  摘要：

  Syntheses of four novel amide analogues of the muscarinic M-2 receptor antagonists, DIBA and BIBN 140, are described from a common intermediate. Pharmacological evaluation through in vitro assays reveals high muscarinic receptor affinity in each of the compounds, but variable subtype selectivity, primarily M-2 but in one case M-3. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00109-1
• 作为产物：
  描述：

  Ethyl-(4-pyridin-4-yl-butyl)-amine 在 platinum(IV) oxide 盐酸 、 sodium hydroxide 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 5.5h， 生成 Ethyl-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-ethyl]-piperidin-4-yl}-butyl)-carbamic acid ethyl ester
  参考文献：
  名称：

  Synthesis and evaluation of halogenated dibenzodiazepines as muscarinic receptor ligands

  摘要：

  Syntheses of four novel amide analogues of the muscarinic M-2 receptor antagonists, DIBA and BIBN 140, are described from a common intermediate. Pharmacological evaluation through in vitro assays reveals high muscarinic receptor affinity in each of the compounds, but variable subtype selectivity, primarily M-2 but in one case M-3. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00109-1

文献信息

• Synthesis and evaluation of halogenated dibenzodiazepines as muscarinic receptor ligands
  作者：Michael Kassiou、Roger W. Read、Xue-qin Shi

  DOI：10.1016/s0960-894x(97)00109-1

  日期：1997.1

  Syntheses of four novel amide analogues of the muscarinic M-2 receptor antagonists, DIBA and BIBN 140, are described from a common intermediate. Pharmacological evaluation through in vitro assays reveals high muscarinic receptor affinity in each of the compounds, but variable subtype selectivity, primarily M-2 but in one case M-3. (C) 1997 Elsevier Science Ltd.