1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol | 43076-23-9

• 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-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol
• 英文别名: KSC-335-032；α-(p-bromophenyl)-4-(α-hydroxy-α-phenylbenzyl)-1-piperidinebutanol；alpha-(p-Bromophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol；1-(4-bromophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
• CAS: 43076-23-9
• 化学式: C₂₈H₃₂BrNO₂
• 分子量: 494.472
• InChiKey: DQTSNICLSJXCCV-UHFFFAOYSA-N

物化性质

• 沸点：
  631.7±55.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol 、 1-甲氧基-1-(三甲基甲硅氧基)-2-甲基-1-丙烯 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ zinc(II) fluoride 、 三叔丁基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以21.4%的产率得到非索非那定甲酯
  参考文献：
  名称：

  Process for production of piperidine derivatives

  摘要：

  揭示了制备式I、II或III的哌啶衍生物化合物的过程：这些过程涉及将式Ia、IIa或IIIa的化合物与异丁酸酯或异丁酸酯等效物反应。

  公开号：

  US20060063808A1
• 作为产物：
  描述：

  α,α-二苯基-4-哌啶甲醇 在 sodium tetrahydroborate 、 碳酸氢钠 作用下， 以 甲醇 、 水 、 丁酮 为溶剂， 反应 21.0h， 生成 1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-ol
  参考文献：
  名称：

  Repurposing the Antihistamine Terfenadine for Antimicrobial Activity against Staphylococcus aureus

  摘要：

  Staphylococcus aureus is a rapidly growing health threat in the U.S., with resistance to several commonly prescribed treatments. A high-throughput screen identified the antihistamine terfenadine to possess, previously unreported, antimicrobial activity against S. aureus and other Gram-positive bacteria. In an effort to repurpose this drug, structure-activity relationship studies yielded 84 terfenadine-based analogues with several modifications providing increased activity versus S. aureus and other bacterial pathogens, including Mycobacterium tuberculosis. Mechanism of action studies revealed these compounds to exert their antibacterial effects, at least in part, through inhibition of the bacterial type II topoisomerases. This scaffold suffers from hERG liabilities which were not remedied through this round of optimization; however, given the overall improvement in activity of the set, terfenadine-based analogues provide a novel structural class of antimicrobial compounds with potential for further characterization as part of the continuing process to meet the current need for new antibiotics.

  DOI：

  10.1021/jm5010682

文献信息

• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  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。
• Olefinic 4-substituted piperidino derivatives as therapeutics
  申请人：Richardson-Merrell Inc.

  公开号：US04180583A1

  公开（公告）日：1979-12-25

  Novel compounds useful as antihistamine agents, antiallergy agents, and bronchodilators are represented by the following formula ##STR1## wherein R and R.sup.1 each represent hydrogen; or R and R.sup.1 taken together form a second bond between the carbon atoms bearing R and R.sup.1 ; n is a positive whole integer of from 1 to 3; Y represents --CH.dbd.CH--, or ##STR2## with the proviso that when each of R and R.sup.1 represents hydrogen, Y represents --CH.dbd.CH, and when Y represents --CH.dbd.CH, n is equal to 1 or 2; and Z represents thienyl, phenyl, or substituted phenyl wherein the substituents on the substituted phenyl may be attached at the ortho, meta, or para positions of the phenyl ring and are selected from halogen, a straight or branched lower alkyl chain of from 1 to 4 carbon atoms, a lower alkoxy group of from 1 to 4 carbon atoms, di(lower)-alkylamino, or a saturated monocyclic heterocyclic group such as pyrrolidino, piperidino, morpholino, or N-(lower)-alkylpiperazino. Pharmaceutically acceptable acid addition salts and individual geometric isomers of compounds of the above formula are also included as a part of this invention.

  新颖的化合物可用作抗组胺剂、抗过敏剂和支气管扩张剂，其化学式如下所示：其中R和R.sup.1分别代表氢原子；或者R和R.sup.1一起形成连接R和R.sup.1碳原子的第二键；n是从1到3的正整数；Y代表--CH.dbd.CH--，或者如下所示：在R和R.sup.1分别代表氢原子时，Y代表--CH.dbd.CH；当Y代表--CH.dbd.CH时，n等于1或2；Z代表噻吩基、苯基或取代苯基，其中取代苯基上的取代基可以连接在苯环的邻位、间位或对位，并且可以选择的取代基包括卤素、由1到4个碳原子组成的直链或支链低碳链烷基、由1到4个碳原子组成的低碳氧基基团、二(低)烷基胺基，或饱和的单环杂环基团，例如吡咯啉基、哌啶基、吗啉基或N-(低)烷基哌嗪基。此发明还包括上述化学式化合物的药学上可接受的酸盐和各种立体异构体。
• 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。
• AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0563134A1

  公开（公告）日：1993-10-06
• PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES
  申请人：Meckler Harold

  公开号：US20090124810A1

  公开（公告）日：2009-05-14

  Processes are disclosed for preparing piperidine derivative compounds of the formulae I, II or III: The processes involve reacting a compound of formula Ia, IIa or IIIa with isobutyrate or an isobutyrate equivalent.