1-[4-(4-methylphenyl)butyl]-α,α-diphenyl-4-piperidine-methanol | 1190882-42-8

• 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-methylphenyl)butyl]-α,α-diphenyl-4-piperidine-methanol
• 英文别名: 1-[4-(4-Methylphenyl)butyl]-alpha,alpha-diphenyl-4-piperdine-methanol；[1-[4-(4-methylphenyl)butyl]piperidin-4-yl]-diphenylmethanol
• CAS: 1190882-42-8
• 化学式: C₂₉H₃₅NO
• 分子量: 413.603
• InChiKey: VFCNPRIWDSWJIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-[4-[Hydroxy(diphenyl)methyl]piperidin-1-yl]-4-(4-methylphenyl)butan-1-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以59%的产率得到1-[4-(4-methylphenyl)butyl]-α,α-diphenyl-4-piperidine-methanol
  参考文献：
  名称：

  Structural determinants for histamine H1 affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs

  摘要：

  In the late 1980's reports linking the non-sedating antihistamines terfenadine and astemizole with torsades de pointes, a form of ventricular tachyarrhythmia that can degenerate into ventricular fibrillation and sudden death, appeared in the clinical literature. A substantial body of evidence demonstrates that the arrhythmogenic effect of these cardiotoxic antihistamines, as well as a number of structurally related compounds, results from prolongation of the QT interval due to suppression of specific delayed rectifier ventricular K+ currents via blockade of the hERG-IKr channel. In order to better understand the structural requirements for hERG and H-1 binding for terfenadine, a series of analogs of terfenadine has been prepared and studied in both in vitro and in vivo hERG and H-1 assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.047

文献信息

• Methods and compositions for treating infection
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US10004701B2

  公开（公告）日：2018-06-26

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• Structural determinants for histamine H1 affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs
  作者：Robert Aslanian、John J. Piwinski、Xiaohong Zhu、Tony Priestley、Steve Sorota、Xiao-Yi Du、Xue-Song Zhang、Robbie L. McLeod、Robert E. West、Shirley M. Williams、John A. Hey

  DOI：10.1016/j.bmcl.2009.07.047

  日期：2009.9

  In the late 1980's reports linking the non-sedating antihistamines terfenadine and astemizole with torsades de pointes, a form of ventricular tachyarrhythmia that can degenerate into ventricular fibrillation and sudden death, appeared in the clinical literature. A substantial body of evidence demonstrates that the arrhythmogenic effect of these cardiotoxic antihistamines, as well as a number of structurally related compounds, results from prolongation of the QT interval due to suppression of specific delayed rectifier ventricular K+ currents via blockade of the hERG-IKr channel. In order to better understand the structural requirements for hERG and H-1 binding for terfenadine, a series of analogs of terfenadine has been prepared and studied in both in vitro and in vivo hERG and H-1 assays. (C) 2009 Elsevier Ltd. All rights reserved.