1-Methyl-3-benzoylpiperidin | 70029-33-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-Methyl-3-benzoylpiperidin
• 英文别名: 1-Methyl-3-benzoylpiperidine；(1-methylpiperidin-3-yl)-phenylmethanone
• CAS: 70029-33-3
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: ZEAVDVZKVBPJLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-3-benzoylpiperidin 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 1-Methyl-3-piperidyl-phenylcarbinol
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008
• 作为产物：
  描述：

  1-甲基哌啶-3-羧酸 在 氯化亚砜 作用下， 生成 1-Methyl-3-benzoylpiperidin
  参考文献：
  名称：

  THE CHEMISTRY OF THE BENZYLPYRIDINES. III. 4-BENZYLPYRIDYL- AND 4-BENZYL-N-METHYL- PIPERIDYL-CARBINOLS AND ESTERS

  摘要：

  DOI：

  10.1021/jo01136a012

文献信息

• The Quasi-Favorskii Rearrangement. I. The Preparation of Demerol and β-Pethidine
  作者：Edward E. Smissman、Gilbert Hite

  DOI：10.1021/ja01514a047

  日期：1959.3
• Sugimoto; Kugita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 66,70
  作者：Sugimoto、Kugita

  DOI：——

  日期：——
• EP1995241A1
  申请人：——

  公开号：EP1995241A1

  公开（公告）日：2008-11-26
• Inhibitors of ion channels
  申请人：ICAgen, Inc.

  公开号：EP1995241B1

  公开（公告）日：2010-03-17
• METHODS FOR INDUCING MITOCHONDRIAL BIOGENESIS
  申请人：MUSC Foundation For Research Development

  公开号：US20140024677A1

  公开（公告）日：2014-01-23

  Methods and compositions for inducing mitochondrial biogenesis are provided. In some aspects, methods for the treatment of diseases such as acute kidney disease (AKI) or a muscle wasting disease by administering tomoxetine, nisoxetine, fenoterol, formoterol, or procaterol to an individual are provided.