1-[4-(3-Piperazin-1-yl-propoxy)-phenyl]-hexan-1-one | 360553-72-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(3-Piperazin-1-yl-propoxy)-phenyl]-hexan-1-one
• 英文别名: 1-[4-(3-Piperazin-1-ylpropoxy)phenyl]hexan-1-one
• CAS: 360553-72-6
• 化学式: C₁₉H₃₀N₂O₂
• 分子量: 318.459
• InChiKey: JDYFFOLXVFGXNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-(3-Piperazin-1-yl-propoxy)-phenyl]-hexan-1-one 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-{3-[4-(2-Amino-4-methyl-pentanoyl)-piperazin-1-yl]-propoxy}-phenyl)-hexan-1-one
  参考文献：
  名称：

  Structure–Activity relationships of non-imidazole H3 Receptor ligands. Part 2: binding preference for d-Amino acids motifs

  摘要：

  Structure-activity relationship studies on novel non-imidazole, D-amino acid containing ligands of histamine 3 receptors are presented. A-304121 is a D-alanine piperazine amide with high affinity at the rat H-3 receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00310-4
• 作为产物：
  描述：

  4'-羟基苯己酮 在 potassium carbonate 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 丁酮 为溶剂， 反应 108.0h， 生成 1-[4-(3-Piperazin-1-yl-propoxy)-phenyl]-hexan-1-one
  参考文献：
  名称：

  Structure–activity relationships of non-imidazole H3 receptor ligands. Part 1

  摘要：

  SAR studies for novel non-imidazole containing H-3 receptor antagonists with high potency and selectivity for rat H-3 receptors are described. A high throughput screening lead, A-923, was further elaborated in a systematic manner to clarify a pharmacophore for this class of aryloxyalkyl piperazine based compounds. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00309-8

文献信息

• Cyclic and bicyclic diamino histamine-3 receptor antagonists
  申请人：——

  公开号：US20010049367A1

  公开（公告）日：2001-12-06

  Compounds of formula (I) 1 compounds of formula (II) 2 compounds of formula (III) 3 and compounds of formula (IV) 4 or pharmaceutically acceptable salts thereof are useful as H 3 receptor antagonists. Processes to make the compounds and methods of treatment using the compounds are also disclosed.

  化合物的公式(I)1、公式(II)2、公式(III)3和公式(IV)4或其药学上可接受的盐被用作H3受体拮抗剂。还公开了制备这些化合物的方法以及使用这些化合物的治疗方法。
• US6559140B2
  申请人：——

  公开号：US6559140B2

  公开（公告）日：2003-05-06
• Structure–activity relationships of non-imidazole H3 receptor ligands. Part 1
  作者：Ramin Faghih、Wesley Dwight、Robert Gentles、Kathleen Phelan、Timothy A Esbenshade、Lynne Ireland、Thomas R Miller、Chae-Hee Kang、Gerard B Fox、Sujatha M Gopalakrishnan、Arthur A Hancock、Youssef L Bennani

  DOI：10.1016/s0960-894x(02)00309-8

  日期：2002.8

  SAR studies for novel non-imidazole containing H-3 receptor antagonists with high potency and selectivity for rat H-3 receptors are described. A high throughput screening lead, A-923, was further elaborated in a systematic manner to clarify a pharmacophore for this class of aryloxyalkyl piperazine based compounds. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Structure–Activity relationships of non-imidazole H3 Receptor ligands. Part 2: binding preference for d-Amino acids motifs
  作者：Ramin Faghih、Wesley Dwight、Larry Black、Huaqing Liu、Robert Gentles、Kathleen Phelan、Timothy A Esbenshade、Lynne Ireland、Thomas R Miller、Chae-Hee Kang、Kathy M Krueger、Gerard B Fox、Arthur A Hancock、Youssef L Bennani

  DOI：10.1016/s0960-894x(02)00310-4

  日期：2002.8

  Structure-activity relationship studies on novel non-imidazole, D-amino acid containing ligands of histamine 3 receptors are presented. A-304121 is a D-alanine piperazine amide with high affinity at the rat H-3 receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.