(1-苄基-4-氧代-3-哌啶基)乙酸乙酯 | 6947-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (1-苄基-4-氧代-3-哌啶基)乙酸乙酯
• 中文别名: 乙基2-(1-苯甲基-4-羰基哌啶-3-基)乙酸酯
• 英文名称: (1-benzyl-4-oxopiperidin-3-yl)acetic acid ethyl ester
• 英文别名: (1-Benzyl-4-oxo-piperidin-3-yl)-acetic acid ethyl ester；ethyl 2-(1-benzyl-4-oxopiperidin-3-yl)acetate
• CAS: 6947-75-7
• 化学式: C₁₆H₂₁NO₃
• 分子量: 275.348
• InChiKey: QYILJAGPONBKJX-UHFFFAOYSA-N

物化性质

• 沸点：
  392.5±22.0 °C(Predicted)
• 密度：
  1.117±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  (1-苄基-4-氧代-3-哌啶基)乙酸乙酯 在 palladium on carbon 、 ammonium acetate 、 氢气 、 sodium cyanoborohydride 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 乙腈 为溶剂， 20.0 ℃ 、448.17 kPa 条件下， 反应 98.0h， 生成 cis-3-benzoyl-3,7-diazabicyclo[4.3.0]nonan-8-one
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 3,7-Diazabicyclo[4.3.0]nonan-8-ones as Potential Nootropic and Analgesic Drugs

  摘要：

  A series of cis and trans 3,7-diazabicyclo[4.3.0]nonan-8-ones has been synthesized and tested for their ability to revert scopolamine-induced amnesia in the mouse passive-avoidance test. The racemates of the most potent compounds 4 and 7 were separated and tested, but no enantioselectivity was found for the nootropic activity. Compounds 4 and 7 and their enantiomers displayed interesting antihyperalgesic activity in two models of neuropathic pain (streptozotocin-induced and oxalilplatin-induced neuropathy) in comparison with pregabalin.

  DOI：

  10.1021/jm101376k
• 作为产物：
  描述：

  N-苄基哌啶酮 、 溴乙酸乙酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.17h， 以44%的产率得到(1-苄基-4-氧代-3-哌啶基)乙酸乙酯
  参考文献：
  名称：

  Synthesis and Biological Evaluation of 3,7-Diazabicyclo[4.3.0]nonan-8-ones as Potential Nootropic and Analgesic Drugs

  摘要：

  A series of cis and trans 3,7-diazabicyclo[4.3.0]nonan-8-ones has been synthesized and tested for their ability to revert scopolamine-induced amnesia in the mouse passive-avoidance test. The racemates of the most potent compounds 4 and 7 were separated and tested, but no enantioselectivity was found for the nootropic activity. Compounds 4 and 7 and their enantiomers displayed interesting antihyperalgesic activity in two models of neuropathic pain (streptozotocin-induced and oxalilplatin-induced neuropathy) in comparison with pregabalin.

  DOI：

  10.1021/jm101376k

文献信息

• [EN] FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION<br/>[FR] INHIBITEURS BICYCLIQUES FUSIONNÉS DE L'INTERACTION MÉNINE-MLL
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018050684A1

  公开（公告）日：2018-03-22

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to fused bicyclic compounds, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, myelodysplastic syndrome (MDS) and diabetes.

  本发明涉及用于治疗和/或预防哺乳动物的药物制剂，特别是融合双环化合物，包括这种化合物的药物组合物，以及它们作为menin/MLL蛋白/蛋白相互作用抑制剂的用途，用于治疗癌症、骨髓增生异常综合征（MDS）和糖尿病等疾病。
• Fused bicyclic inhibitors of menin-MLL interaction
  申请人：Janssen Pharmaceutica NV

  公开号：US10611778B2

  公开（公告）日：2020-04-07

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to fused bicyclic compounds, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, myelodysplastic syndrome (MDS) and diabetes.

  本发明涉及可用于哺乳动物治疗和/或预防的药物制剂，尤其涉及融合双环化合物、包含此类化合物的药物组合物，以及它们作为门宁/MLL 蛋白/蛋白相互作用抑制剂的用途，可用于治疗癌症、骨髓增生异常综合征（MDS）和糖尿病等疾病。
• MURAI, XIROSI
  作者：MURAI, XIROSI

  DOI：——

  日期：——
• FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION
  申请人：Janssen Pharmaceutica NV

  公开号：EP3512858A1

  公开（公告）日：2019-07-24
• JPS60214789A
  申请人：——

  公开号：JPS60214789A

  公开（公告）日：1985-10-28