1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-ol | 31633-84-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-ol
• 英文别名: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
• CAS: 31633-84-8
• 化学式: C₂₇H₂₈ClF₂NO
• 分子量: 455.975
• InChiKey: OKBBWKMNGFXKKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-ol 、 乙酰氯 以 氯仿 为溶剂， 生成 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-yl acetate
  参考文献：
  名称：

  细胞自噬诱导剂二苯基丁基哌啶的合成及SAR研究

  摘要：

  通过新路线合成了一种新型二苯基丁基哌啶作为自噬诱导剂，其中一些活性比先导化合物高 10 倍。

  DOI：

  10.1016/j.bmcl.2010.11.029
• 作为产物：
  描述：

  4-(4-氯苯基)-4-羟基哌啶 、 4,4,-二(4-氟苯)氯丁烷 在 sodium carbonate 、 sodium iodide 作用下， 以 乙腈 为溶剂， 以94%的产率得到1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chlorophenyl)piperidin-4-ol
  参考文献：
  名称：

  Identification of novel allosteric nonpeptidergic inhibitors of the human cytomegalovirus-encoded chemokine receptor US28

  摘要：

  Human cytomegalovirus ( HCMV) is a widespread human pathogen, possessing onco-modulatory properties. Constitutive signaling of the HCMV-encoded chemokine receptor US28 and its ability to bind a broad spectrum of chemokines might facilitate HCMV-associated tumor progression. Novel nonpeptidergic chemotypes were identified as neutral antagonists or inverse agonists on US28, that allosterically inhibit chemokine binding to US28. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.060

文献信息

• [EN] DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS<br/>[FR] INDUCTEURS, À BASE DE DIPHÉNYLBUTYLPIPÉRIDINE, DE L'AUTOPHAGIE
  申请人：HARVARD COLLEGE

  公开号：WO2011143444A2

  公开（公告）日：2011-11-17

  Autophagy inducing compounds, methods of their preparation and use, and kits containg said compounds are disclosed herein.
• Identification of novel allosteric nonpeptidergic inhibitors of the human cytomegalovirus-encoded chemokine receptor US28
  作者：Henry F. Vischer、Janneke W. Hulshof、Saskia Hulscher、Silvina A. Fratantoni、Mark H.P. Verheij、Jane Victorina、Martine J. Smit、Iwan J.P. de Esch、Rob Leurs

  DOI：10.1016/j.bmc.2009.11.060

  日期：2010.1

  Human cytomegalovirus ( HCMV) is a widespread human pathogen, possessing onco-modulatory properties. Constitutive signaling of the HCMV-encoded chemokine receptor US28 and its ability to bind a broad spectrum of chemokines might facilitate HCMV-associated tumor progression. Novel nonpeptidergic chemotypes were identified as neutral antagonists or inverse agonists on US28, that allosterically inhibit chemokine binding to US28. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and SAR study of diphenylbutylpiperidines as cell autophagy inducers
  作者：Gang Chen、Hongguang Xia、Yu Cai、Dawei Ma、Junying Yuan、Chengye Yuan

  DOI：10.1016/j.bmcl.2010.11.029

  日期：2011.1

  A novel type of diphenylbutylpiperidines as autophagy inducers has been synthesized via new route and some of them showed 10-fold greater activity comparable to lead compound.

  通过新路线合成了一种新型二苯基丁基哌啶作为自噬诱导剂，其中一些活性比先导化合物高 10 倍。