11-[2-[4-[4-(ethylamino)butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one | 1026604-07-8

• 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-(ethylamino)butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
• CAS: 1026604-07-8
• 化学式: C₂₆H₃₄N₄O₂
• 分子量: 434.582
• InChiKey: CKABNURNABKRSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-碘苯甲酰氯 、 11-[2-[4-[4-(ethylamino)butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以50%的产率得到N-Ethyl-3-iodo-N-(4-{1-[2-oxo-2-(11-oxo-10,11-dihydro-dibenzo[b,e][1,4]diazepin-5-yl)-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 、 碘代三甲硅烷 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 氯仿 、 乙腈 为溶剂， 反应 5.5h， 生成 11-[2-[4-[4-(ethylamino)butyl]piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one
  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.