1-(2-(1'-(1',2',4'-triazolyl)-methyl)phenyl)-piperazine | 209160-87-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2-(1'-(1',2',4'-triazolyl)-methyl)phenyl)-piperazine
• 英文别名: 1-[2-(1,2,4-Triazol-1-ylmethyl)phenyl]piperazine
• CAS: 209160-87-2
• 化学式: C₁₃H₁₇N₅
• 分子量: 243.311
• InChiKey: XQEUJKZXLDZPGN-UHFFFAOYSA-N

物化性质

• 沸点：
  472.665±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.267±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-(1'-(1',2',4'-triazolyl)-methyl)phenyl)-piperazine 、 D-Tic-D-(p-Cl)-Phe 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-N-((R)-1-(4-(2-((1H-1,2,4-triazol-1-yl)methyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  参考文献：
  名称：

  Aryl piperazine melanocortin MC4 receptor agonists

  摘要：

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00796-0
• 作为产物：
  描述：

  2-(4-N-Boc-哌嗪)苄基乙醇 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-(2-(1'-(1',2',4'-triazolyl)-methyl)phenyl)-piperazine
  参考文献：
  名称：

  Aryl piperazine melanocortin MC4 receptor agonists

  摘要：

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00796-0

文献信息

• Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators
  申请人：Soeberdt Michael

  公开号：US20060241123A1

  公开（公告）日：2006-10-26

  The present invention relates to novel substituted piperidine and piperazine derivatives as melanocortin-4 receptor (MC-4R) modulators. MC-4R agonists of the invention can be used for the treatment of disorders and diseases such as obesity, diabetes, and sexual dysfunction, whereas the MC-4R antagonists are useful for the treatment of disorders and diseases such as cancer cachexia, muscle wasting, anorexia, anxiety and depression. All diseases and disorders where the regulation of the MC-4R is involved can be treated with the compounds of the invention.

  本发明涉及作为黑色素皮质素-4 受体（MC-4R）调节剂的新型取代哌啶和哌嗪衍生物。本发明的 MC-4R 激动剂可用于治疗肥胖、糖尿病和性功能障碍等紊乱和疾病，而 MC-4R 拮抗剂则可用于治疗癌症恶病质、肌肉萎缩、厌食、焦虑和抑郁等紊乱和疾病。所有涉及 MC-4R 调节的疾病都可以用本发明的化合物来治疗。
• SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS
  申请人：Santhera Pharmaceuticals (Schweiz) GmbH

  公开号：EP1603912A1

  公开（公告）日：2005-12-14
• US7291619B2
  申请人：——

  公开号：US7291619B2

  公开（公告）日：2007-11-06
• [EN] SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS<br/>[FR] DERIVES A SUBSTITUTION PIPERIDINE ET PIPERAZINE AGISSANT COMME MODULATEURS DU RECEPTEUR DE LA MELANOCORTINE 4
  申请人：MYOCONTRACT LTD

  公开号：WO2004083209A1

  公开（公告）日：2004-09-30

  The present invention relates to novel substituted piperidine and piperazine derivatives as melanocortin-4 receptor (MC-4R) modulators. MC-4R agonists of the invention can be used for the treatment of disorders and diseases such as obesity, diabetes, and sexual dysfunction, whereas the MC-4R antagonists are useful for the treatment of disorders and diseases such as cancer cachexia, muscle wasting, anorexia, anxiety and depression. All diseases and disorders where the regulation of the MC-4R is involved can be treated with the compounds of the invention.
• Aryl piperazine melanocortin MC4 receptor agonists
  作者：Brian Dyck、Jessica Parker、Teresa Phillips、Lee Carter、Brian Murphy、Robin Summers、Julia Hermann、Tracy Baker、Mary Cismowski、John Saunders、Val Goodfellow

  DOI：10.1016/s0960-894x(03)00796-0

  日期：2003.11

  Incorporation of substituted phenyl piperazine privileged structures into a known MC4 specific dipeptoid consensus sequence resulted in a series of potent (EC50 = 24 nM) and selective MC4-R agonists. We report the SAR of this series of compounds using in vitro cAMP functional assays in cells transfected with the MC4 or other melancortin receptors. (C) 2003 Elsevier Ltd. All rights reserved.