1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)indolin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)indolin-2-one
• 化学式: C₂₂H₃₂N₂O
• 分子量: 340.509
• InChiKey: KZQZXGOXGSLNTB-IZAXUBKRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  23.55
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)indolin-2-one 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 为溶剂， 20.0~80.0 ℃ 、101.33 kPa 条件下， 反应 5.5h， 生成 2-(1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxoindolin-3-yl)acetic acid 2,2,2-trifluoroacetic acid
  参考文献：
  名称：

  PIPERDINYL NOCICEPTIN RECEPTOR COMPOUNDS

  摘要：

  本发明提供了新型哌啶基含有痛觉素受体配体化合物和药物组合物，用于治疗神经系统疾病和条件，其中这些配体介导疾病状况的负面影响。这些神经系统疾病和条件包括急性和慢性疼痛、物质滥用/依赖、酒精成瘾、焦虑、抑郁、睡眠障碍、胃肠道疾病、肾脏疾病、心血管疾病和帕金森病。

  公开号：

  US20180155314A1
• 作为产物：
  描述：

  1-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-indol-2-one 在 palladium on activated charcoal 甲酸 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 1-(1-((1s,4s)-4-isopropylcyclohexyl)piperidin-4-yl)indolin-2-one
  参考文献：
  名称：

  A Novel Series of Piperidin-4-yl-1,3-Dihydroindol-2-ones as Agonist and Antagonist Ligands at the Nociceptin Receptor

  摘要：

  A series of N-(4-piperidinyl)-2-indolinones were discovered as a new structural class of nociceptin receptor (NOP) ligands. Unlike other previously reported classes of NOP receptor ligands, modifications of the piperidine N substituents afforded both potent agonists and antagonists, with modest selectivities over other opioid receptors. The SAR revealed in this new series will provide important insights for the development of pharmacophores for agonist and antagonist actions at the NOP receptor.

  DOI：

  10.1021/jm034249d

文献信息

• PIPERDINYL NOCICEPTIN RECEPTOR COMPOUNDS
  申请人：Astraea Therapeutics, LLC

  公开号：US20180155314A1

  公开（公告）日：2018-06-07

  The present invention provides novel piperidinyl-containing nociceptin receptor ligand compounds and pharmaceutical compositions useful in the treatment of neurological diseases and conditions where such ligands mediate the negative effects of the condition. Such neurological diseases and conditions include acute and chronic pain, substance abuse/dependence, alcohol addiction, anxiety, depression, sleep disorders, gastrointestinal disorders, renal disorders, cardiovascular disorders and Parkinson's disease.

  本发明提供了新型哌啶基含有痛觉素受体配体化合物和药物组合物，用于治疗神经系统疾病和条件，其中这些配体介导疾病状况的负面影响。这些神经系统疾病和条件包括急性和慢性疼痛、物质滥用/依赖、酒精成瘾、焦虑、抑郁、睡眠障碍、胃肠道疾病、肾脏疾病、心血管疾病和帕金森病。
• A Novel Series of Piperidin-4-yl-1,3-Dihydroindol-2-ones as Agonist and Antagonist Ligands at the Nociceptin Receptor
  作者：Nurulain T. Zaveri、Faming Jiang、Cris M. Olsen、Jeffrey R. Deschamps、Damon Parrish、Willma Polgar、Lawrence Toll

  DOI：10.1021/jm034249d

  日期：2004.6.1

  A series of N-(4-piperidinyl)-2-indolinones were discovered as a new structural class of nociceptin receptor (NOP) ligands. Unlike other previously reported classes of NOP receptor ligands, modifications of the piperidine N substituents afforded both potent agonists and antagonists, with modest selectivities over other opioid receptors. The SAR revealed in this new series will provide important insights for the development of pharmacophores for agonist and antagonist actions at the NOP receptor.