4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-butan-1-one | 801170-24-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-butan-1-one
• CAS: 801170-24-1
• 化学式: C₁₇H₂₃NO₃
• 分子量: 289.375
• InChiKey: DZOYAYGXEGMULV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-butan-1-one 在 氢溴酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-{4-[(4-Methoxy-2-nitro-phenyl)-hydrazono]-piperidin-1-yl}-1-phenyl-butan-1-one
  参考文献：
  名称：

  Novelli; Sparatore, Il Farmaco, 1996, vol. 51, # 8-9, p. 541 - 550

  摘要：

  DOI：
• 作为产物：
  描述：

  4-哌啶酮缩乙二醇 、 4-氯苯丁酮 以 甲苯 为溶剂， 生成 4-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-butan-1-one
  参考文献：
  名称：

  Novelli; Sparatore, Il Farmaco, 1996, vol. 51, # 8-9, p. 541 - 550

  摘要：

  DOI：

文献信息

• Spiro[1,2,4-benzotriazine-3(4H),4′-(1′-substituted)piperidines] and related compounds as ligands for sigma receptors
  作者：Federica Novelli、Fabio Sparatore

  DOI：10.1016/s0014-827x(02)01293-4

  日期：2002.11

  As analogues of some conformationally restricted spiropiperidine derivatives which are endowed with high affinity for sigma(1), receptor, a set of 16 spiro[1,2,4-benzotriazine-3(4H),4'-(1'-substituted)piperidines] and congeneric compounds was prepared and tested for affinity to a, receptor subtype. All N-arylalkyl substituted derivatives exhibited high affinity for the relevant receptor, with K-i in the low nanomolar range. Affinity for sigma(2) subtype (assayed only for a few representative compounds) was from one to three order of magnitude lower. Spiro[ 1,2,4-benzotriazine-3(4H),4'-(1'-benzyl)piperidine] (2), with a ratio K(i)sigma(2)/K(j)sigma(1) = 7000 should represent the most selective sigma(1), ligand so far described. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.