(7R)-7-甲基-2-氮杂螺[4.4]壬烷-3-酮 | 223425-68-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (7R)-7-甲基-2-氮杂螺[4.4]壬烷-3-酮
• 中文别名: 吡啶,3-(1-乙氧基乙基)-
• 英文名称: (7R)-7-Methyl-2-azaspiro[4.4]nonan-3-one
• 英文别名: (8R)-8-methyl-2-azaspiro[4.4]nonan-3-one
• CAS: 223425-68-1
• 化学式: C₉H₁₅NO
• 分子量: 153.224
• InChiKey: GBLKZMJRCGZIJB-YOXFSPIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (7R)-7-甲基-2-氮杂螺[4.4]壬烷-3-酮 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-methylgababutin
  参考文献：
  名称：

  Synthesis and in vivo evaluation of 3-substituted gababutins

  摘要：

  A range of 3-alkylated five-membered ring derivatives of Gabapentin were synthesized and several were found to have good levels of potency against the alpha 2 delta calcium subunit of a voltage-gated calcium channel. Two compounds were pro. led in in vivo models of pain and anxiety. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.089
• 作为产物：
  描述：

  ethyl 2-[(3R)-3-methyl-1-(nitromethyl)cyclopentyl]acetate 在 氢气 、 镍 作用下， 以 甲醇 为溶剂， 生成 (7R)-7-甲基-2-氮杂螺[4.4]壬烷-3-酮
  参考文献：
  名称：

  Synthesis and in vivo evaluation of 3-substituted gababutins

  摘要：

  A range of 3-alkylated five-membered ring derivatives of Gabapentin were synthesized and several were found to have good levels of potency against the alpha 2 delta calcium subunit of a voltage-gated calcium channel. Two compounds were pro. led in in vivo models of pain and anxiety. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.089

文献信息

• US7122678B2
  申请人：——

  公开号：US7122678B2

  公开（公告）日：2006-10-17
• Synthesis and in vivo evaluation of 3-substituted gababutins
  作者：David C. Blakemore、Justin S. Bryans、Pauline Carnell、Nicola E.A. Chessum、Mark J. Field、Natasha Kinsella、Jack K. Kinsora、Simon A. Osborne、Sophie C. Williams

  DOI：10.1016/j.bmcl.2009.10.089

  日期：2010.1

  A range of 3-alkylated five-membered ring derivatives of Gabapentin were synthesized and several were found to have good levels of potency against the alpha 2 delta calcium subunit of a voltage-gated calcium channel. Two compounds were pro. led in in vivo models of pain and anxiety. (C) 2009 Elsevier Ltd. All rights reserved.