泊沙康唑杂质25 | 171228-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 泊沙康唑杂质25
• 中文别名: 泊沙康唑杂质
• 英文名称: 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-((2S,3R)-2-hydroxypentan-3-yl)-1H-1,2,4-triazole-5(4H)-one
• 英文别名: posaconazole；4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3R)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one
• CAS: 171228-50-5
• 化学式: C₃₇H₄₂F₂N₈O₄
• 分子量: 700.788
• InChiKey: RAGOYPUPXAKGKH-SUUNXRQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  51
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (2S)-2-苯基甲氧基戊烷-3-酮 在 盐酸 、 sodium tetrahydroborate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 水 、 二甲基亚砜 、 异丙醇 、 甲苯 为溶剂， 反应 72.0h， 生成 泊沙康唑杂质25
  参考文献：
  名称：

  泊沙康唑杂质及其制备方法和用途

  摘要：

  本发明公开了泊沙康唑杂质，例如4c(其中PG为羟基保护基)；同时，还公开了这些杂质的制备方法和用途。

  公开号：

  CN108341754A

文献信息

• Hydroxylated analogues of the orally active broad spectrum antifungal, Sch 51048 (1), and the discovery of posaconazole [Sch 56592; 2 or (S,S)-5]
  作者：Frank Bennett、Anil K. Saksena、Raymond G. Lovey、Yi-Tsung Liu、Naginbhai M. Patel、Patrick Pinto、Russel Pike、Edwin Jao、Viyyoor M. Girijavallabhan、Ashit K. Ganguly、David Loebenberg、Haiyan Wang、Anthony Cacciapuoti、Eugene Moss、Fred Menzel、Roberta S. Hare、Amin Nomeir

  DOI：10.1016/j.bmcl.2005.09.031

  日期：2006.1

  As part of a detailed study, the syntheses, biological activities, and pharmacokinetic properties of hydroxylated analogues of the previously described broad spectrum antifungal agents, Sch 51048 (1), Sch 50001 (3), and Sch 50002 (4), are described. Based on an overall superior profile, one of the alcohols, Sch 56592 (2), was selected for clinical studies. (c) 2005 Elsevier Ltd. All rights reserved.
• METHODS OF ADMINISTERING TOPICAL ANTIFUNGAL FORMULATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS
  申请人：Cevc Gregor

  公开号：US20100086504A1

  公开（公告）日：2010-04-08

  The present invention relates to topical antifungal formulations comprising one or more antifungal (e.g., terbinafine), a lipid and a surfactant, and uses thereof for the treatment of skin and nail fungal infections.
• TOPICAL TERBINAFINE FORMULATIONS AND METHODS OF ADMINISTERING SAME FOR THE TREATMENT OF FUNGAL INFECTIONS
  申请人：Cevc Gregor

  公开号：US20100104633A1

  公开（公告）日：2010-04-29

  The present invention relates to topical antifungal formulations terbinafine or a pharmaceutically acceptable salt thereof, a lipid, and a surfactant, and uses thereof for the treatment of skin and nail fungal infections.
• METHODS OF REDUCING THE PROLIFERATION AND VIABILITY OF MICROBIAL AGENTS
  申请人：Henry William

  公开号：US20100197621A1

  公开（公告）日：2010-08-05

  The invention relates to formulations of an antimicrobial agent, a lipid, and optionally a surfactant, and uses thereof for reducing the proliferation and viability of microbial agents.
• METHODS OF REDUCING THE PROLIFERATION AND VIABLILITY OF MICROBIAL AGENTS
  申请人：Henry William

  公开号：US20120245107A1

  公开（公告）日：2012-09-27

  The invention relates to formulations of an antimicrobial agent, a lipid, and optionally a surfactant, and uses thereof for reducing the proliferation and viability of microbial agents.