8-(4-Methyl-benzyl)-1,4-dioxa-8-aza-spiro[4.5]decane | 904750-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 8-(4-Methyl-benzyl)-1,4-dioxa-8-aza-spiro[4.5]decane
• 英文别名: 8-(4-Methylbenzyl)-1,4-dioxa-8-azaspiro[4.5]decane；8-[(4-methylphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
• CAS: 904750-06-7
• 化学式: C₁₅H₂₁NO₂
• mdl: MFCD06056512
• 分子量: 247.337
• InChiKey: XUMXNBPWCJCUHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-(4-Methyl-benzyl)-1,4-dioxa-8-aza-spiro[4.5]decane 在 氢溴酸 作用下， 生成 1‐(4‐methylbenzyl)piperidin‐4‐one
  参考文献：
  名称：

  Spiro[1,2,4-benzotriazine-3(4H),4′-(1′-substituted)piperidines] and related compounds as ligands for sigma receptors

  摘要：

  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.

  DOI：

  10.1016/s0014-827x(02)01293-4
• 作为产物：
  描述：

  4-哌啶酮缩乙二醇 、 4-甲基氯苄 以 甲苯 为溶剂， 反应 8.0h， 生成 8-(4-Methyl-benzyl)-1,4-dioxa-8-aza-spiro[4.5]decane
  参考文献：
  名称：

  Spiro[1,2,4-benzotriazine-3(4H),4′-(1′-substituted)piperidines] and related compounds as ligands for sigma receptors

  摘要：

  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.

  DOI：

  10.1016/s0014-827x(02)01293-4

文献信息

• HIV Integrase Inhibitors
  申请人：Naidu B. Narasimhulu

  公开号：US20070281917A1

  公开（公告）日：2007-12-06

  The invention encompasses series bicyclic pyrimidinone compounds of Formula I which inhibit HIV integrase and prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses pharmaceutical compositions and methods for treating those infected with HIV.

  这项发明涵盖了公式I的系列双环嘧啶酮化合物，这些化合物抑制HIV整合酶并防止病毒整合到人类DNA中。这种作用使得这些化合物对治疗HIV感染和艾滋病有用。该发明还涵盖了用于治疗HIV感染者的药物组合物和方法。
• SURFACE ENHANCED RAMAN SPECTROSCOPY (SERS) COMPOUNDS AND METHODS OF THEIR PREPARATION
  申请人：CHANG Young-Tae

  公开号：US20120128592A1

  公开（公告）日：2012-05-24

  A compound for detecting an analyte using Surface Enhanced Raman Spectroscopy (SERS) and a method of forming the compound is provided. The compound has Formula I: wherein W is selected from the group consisting of an optionally substituted aryl group and an optionally substituted heteroaryl group; each Y independently is NR 1 R 2 , wherein R 1 and R 2 are independently selected from the group consisting of H and C 1 -C 6 alkyl, or R 1 and R 2 combine to form together with the nitrogen to which they are attached a heterocyclic group with 4 to 5 carbon atoms, is used to denote a single or a double bond, and Z is NH, NH 2 , NH—(C═O)—(CH 2 ) n —SH, wherein n=1 to 10, or or a tautomer or stereoisomer thereof, or a salt thereof. A method and device for detecting an analyte using Surface Enhanced Raman Spectroscopy (SERS) is also provided.

  提供了一种利用表面增强拉曼光谱（SERS）检测分析物的化合物以及形成该化合物的方法。该化合物具有式I：其中W从可选择的取代芳基和可选择的取代杂环基组成的组中选择；每个Y独立地为NR1R2，其中R1和R2独立地从H和C1-C6烷基组成的组中选择，或者R1和R2与它们连接的氮原子一起形成含有4到5个碳原子的杂环基，表示单键或双键，Z为NH、NH2、NH—(C═O)—(CH2)n—SH，其中n=1到10，或其异构体或立体异构体，或其盐。还提供了一种利用表面增强拉曼光谱（SERS）检测分析物的方法和装置。
• US7897593B2
  申请人：——

  公开号：US7897593B2

  公开（公告）日：2011-03-01
• US9006458B2
  申请人：——

  公开号：US9006458B2

  公开（公告）日：2015-04-14
• 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.