3-(Piperidine-4-yl)-3H-quinazolin-4-one | 65948-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(Piperidine-4-yl)-3H-quinazolin-4-one
• 英文别名: 3-(piperidin-4-yl)quinazolin-4(3H)-one；3-piperidin-4-ylquinazolin-4-one
• CAS: 65948-09-6
• 化学式: C₁₃H₁₅N₃O
• 分子量: 229.282
• InChiKey: RCSWKIOCGLYWMS-UHFFFAOYSA-N

物化性质

• 沸点：
  403.6±55.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Piperidine-4-yl)-3H-quinazolin-4-one 在 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯甲醚 为溶剂， 生成 (R)-Cyclohexyl-{(3S,4S)-3-[4-(4-oxo-4H-quinazolin-3-yl)-piperidin-1-ylmethyl]-4-phenyl-pyrrolidin-1-yl}-acetic acid
  参考文献：
  名称：

  Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties

  摘要：

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.030
• 作为产物：
  描述：

  2-amino-N-(1-benzyl-piperidin-4-yl)-benzamide 在 palladium on activated charcoal 盐酸 、 甲酸铵 作用下， 以 甲醇 为溶剂， 生成 3-(Piperidine-4-yl)-3H-quinazolin-4-one
  参考文献：
  名称：

  Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties

  摘要：

  A series of 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists containing a variety of fused heterocycles at the 4-position of the piperidine side chain has been discovered, which are orally bioavailable with potent anti-HIV activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.030

文献信息

• Pyrrolidine modulators of chemokine receptor activity
  申请人：Merck & Co., Inc.

  公开号：US06248755B1

  公开（公告）日：2001-06-19

  The present invention is directed to pyrrolidine compounds of the formula I: (wherein R1, R2, R3, R4, R5, R6, R14 and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3.

  本发明涉及式I的吡咯烷化合物：（其中R1，R2，R3，R4，R5，R6，R14和n的定义如下），它们可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体CCR-5和/或CCR-3的调节剂。
• Photoreactive ligands and uses thereof
  申请人：The Scripps Research Institute

  公开号：US11535597B2

  公开（公告）日：2022-12-27

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.

  本文公开了用于确定蛋白质作为与小分子配体相互作用的靶标的方法。本文还公开了用于分析可药用蛋白质的小分子配体和组合物。
• [EN] DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS<br/>[FR] INDUCTEURS, À BASE DE DIPHÉNYLBUTYLPIPÉRIDINE, DE L'AUTOPHAGIE
  申请人：HARVARD COLLEGE

  公开号：WO2011143444A3

  公开（公告）日：2012-04-05
• JPH11228569A
  申请人：——

  公开号：JPH11228569A

  公开（公告）日：1999-08-24
• PHOTOREACTIVE LIGANDS AND USES THEREOF
  申请人：The Scripps Research Institute

  公开号：US20200071277A1

  公开（公告）日：2020-03-05

  Disclosed herein are methods for identifying proteins as targets for interaction with a small molecule ligand. Also disclosed herein are small molecule ligands and compositions for use in profiling druggable proteins.