(4-benzylpiperidin-1-yl)(1H-imidazol-1-yl)methanone | 548763-42-4

• 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: (4-benzylpiperidin-1-yl)(1H-imidazol-1-yl)methanone
• 英文别名: (4-benzylpiperidin-1-yl)imidazol-1-ylmethanone；(4-benzyl-piperidin-1-yl)-imidazol-1-yl-methanone；4-benzyl-1-(1H-imidazol-1-ylcarbonyl)piperidine；(4-benzylpiperidin-1-yl)-imidazol-1-ylmethanone
• CAS: 548763-42-4
• 化学式: C₁₆H₁₉N₃O
• 分子量: 269.346
• InChiKey: RCWUQIHOURPVBL-UHFFFAOYSA-N

物化性质

• 沸点：
  436.2±28.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-benzylpiperidin-1-yl)(1H-imidazol-1-yl)methanone 在 sodium tetrahydroborate 、 N,N-二异丙基乙胺 、 cobalt(II) chloride 作用下， 以 甲醇 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 N-{[4-(aminomethyl)-3-fluorophenyl]methyl}-4-benzylpiperidine-1-carboxamide
  参考文献：
  名称：

  [EN] PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS
  [FR] ANTAGONISTES DU RÉCEPTEUR 2 ACTIVÉ PAR DES PROTÉASES (PAR2)

  摘要：

  式(I)的化合物或其药学上可接受的盐、溶剂化物、水合物，其中Y、Z、R3、U、R4、m和n如权利要求中所定义。

  公开号：

  WO2012101453A1
• 作为产物：
  描述：

  4-苄基哌啶 、 N,N'-羰基二咪唑 在 柠檬酸 、 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以to give the title compound as a yellow oil (36.0 g, 94%) which的产率得到(4-benzylpiperidin-1-yl)(1H-imidazol-1-yl)methanone
  参考文献：
  名称：

  Protease Activated Receptor 2 (PAR2) Antagonists

  摘要：

  公式（I）的化合物或其药学上可接受的盐、溶剂化物或水合物，其中Y、Z、R3、U、R4、m和n如权利要求中所定义。

  公开号：

  US20130324556A1

文献信息

• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• Use of compounds for decreasing activity of hormone-sensitive
  申请人：——

  公开号：US20030166690A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物来抑制激素敏感性脂肪酶，包括这些化合物的制药组合物，使用这些化合物和组合物的治疗方法，以及新颖的化合物。这些化合物是激素敏感性脂肪酶的抑制剂，可用于治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病。
• The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor (nAChR) ligands. Part 1: The influence of different hydrogen bond acceptor systems on alkyl and (hetero)aryl substituents
  作者：Christoph Eibl、Isabelle Tomassoli、Lenka Munoz、Clare Stokes、Roger L. Papke、Daniela Gündisch

  DOI：10.1016/j.bmc.2013.09.059

  日期：2013.12

  3,7-Diazabicyclo[3.3.1]nonane is a naturally occurring scaffold interacting with nicotinic acetylcholine receptors (nAChRs). When one nitrogen of the 3,7-diazabicyclo[3.3.1]nonane scaffold was implemented in a carboxamide motif displaying a hydrogen bond acceptor (HBA) functionality, compounds with higher affinities and subtype selectivity for alpha 4 beta 2* were obtained. The nature of the HBA system (carboxamide, sulfonamide, urea) had a strong impact on nAChR interaction. High affinity ligands for alpha 4 beta 2* possessed small alkyl chains, small un-substituted hetero-aryl groups or para-substituted phenyl ring systems along with a carboxamide group. Electrophysiological responses of selected 3,7-diazabicyclo[3.3.1]nonane derivatives to Xenopus oocytes expressing various nAChR subtypes showed diverse activation profiles. Compounds with strongest agonistic profiles were obtained with small alkyl groups whereas a shift to partial agonism/antagonism was observed for aryl substituents. (C) 2013 Elsevier Ltd. All rights reserved.
• Ureas with histamine H3-antagonist receptor activity—A new scaffold discovered by lead-hopping from cinnamic acid amides
  作者：Jesper F. Lau、Claus Bekker Jeppesen、Karin Rimvall、Rolf Hohlweg

  DOI：10.1016/j.bmcl.2006.07.093

  日期：2006.10

  A group of tri and tetrasubstituted urea derivatives have been found to be hH(3)-antagonists. The most potent compounds were found in the class of (piperazine-1-yl)-(piperidine-1-yl)-methanones which in addition showed negligible hERG inhibition. (c) 2006 Elsevier Ltd. All rights reserved.
• COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE
  申请人：NOVO NORDISK A/S

  公开号：EP1458375A2

  公开（公告）日：2004-09-22