pentanedioic acid, mono[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester | 216167-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: pentanedioic acid, mono[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester
• 英文别名: Compound H；Pentanedioic acid mono-{2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl} ester；5-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-5-oxopentanoic acid
• CAS: 216167-94-1
• 化学式: C₃₆H₅₄O₅S₂
• 分子量: 630.954
• InChiKey: FXVZPGYGCKNSJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  pentanedioic acid, mono[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester 在 硼烷 作用下， 以 四氢呋喃 为溶剂， 生成 5-Hydroxy-pentanoic acid 2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl]-phenyl ester
  参考文献：
  名称：

  Novel phenolic antioxidants as multifunctional inhibitors of inducible VCAM-1 expression for use in atherosclerosis

  摘要：

  A series of novel phenolic compounds has been discovered as potent inhibitors of TNF-alpha-inducible expression of vascular cell adhesion molecule-1 (VCAM-1) with concurrent antioxidant and lipid-modulating properties. Optimization of these multifunctional agents led to the identification of 3a (AGI-1067) as a clinical candidate with demonstrated efficacies in animal models of atherosclerosis and hyperlipidemia. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00516-4

文献信息

• [EN] PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF<br/>[FR] PROCEDE DE PREPARATION D'ESTERS ET D'ETHERS DE PROBUCOL ET DE SES DERIVES
  申请人：ATHEROGENICS INC

  公开号：WO2005102323A2

  公开（公告）日：2005-11-03

  Provided are methods for manufacturing compounds of Formula I wherein all substituents are described herein.

  提供了制造式I化合物的方法，其中所有取代基均在此处描述。
• Soluble analogs of probucol
  申请人：AtheroGenics, Inc.

  公开号：EP1161946A2

  公开（公告）日：2001-12-12

  A nucleic acid amplification station for a test strip comprising a dual chamber reaction vessel comprising a first chamber and a second chamber, characterised in that the station comprises: a tray for at least one test strip, the said tray comprising a first portion and a second portion positioned adjacent to the said first and second chambers of the said dual chamber reaction vessel, respectively; a temperature control subsystem for the said tray maintaining the said first and second portions of the said tray at first and second different amplification reaction temperatures so as to maintain the said first and second chambers at the said first and second amplification reaction temperatures, respectively; a fluid conduit opening mechanism for opening a fluid conduit in the said dual chamber reaction vessel to establish fluid communication between the said first chamber and the said second chamber; and, optionally, a vacuum subsystem comprising a vacuum probe, the said test strip and vacuum probe being mutually reciprocable and the said vacuum probe cooperating with reaction wells in the said test strip for transferring a fluid sample from the said first chamber to the said second chamber via the said fluid conduit is disclosed.

  一种用于试纸的核酸扩增站，包括一个由第一室和第二室组成的双室反应容器，其特征在于该扩增站包括： 用于至少一个试纸条的托盘，所述托盘包括分别与所述双室反应容器的所述第一室和第二室相邻的第一部分和第二部分； 用于上述托盘的温度控制子系统，将上述托盘的上述第一和第二部分保持在第一和第二不同的放大反应温度下，以便将上述第一和第二腔室分别保持在上述第一和第二放大反应温度下； 流体导管打开机构，用于打开所述双室反应容器中的流体导管，以在所述第一室和所述第二室之间建立流体通道； 以及 真空子系统，包括一个真空探针，所述测试条和真空探针可相互往复运动，所述真空探针与所述测试条中的反应孔配合，用于通过所述流体导管将流体样品从所述第一腔室转移到所述第二腔室。
• SOLUBLE ANALOGS OF PROBUCOL
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP0637959A1

  公开（公告）日：1995-02-15
• EP0637959A4
  申请人：——

  公开号：EP0637959A4

  公开（公告）日：1995-03-29
• Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof
  申请人：Weingarten David M.

  公开号：US20070260087A1

  公开（公告）日：2007-11-08

  The current patent application provides methods for manufacturing compounds of Formula I wherein all substituents are described herein.