(+/-)-trans-1-(4-hydroxybenzamido)-2-({4-[2-hydroxy-6-(hydroxycarbonyl)benzoyl]-3,5-dihydroxybenzoyl}oxy)cyclopentane

• 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: (+/-)-trans-1-(4-hydroxybenzamido)-2-({4-[2-hydroxy-6-(hydroxycarbonyl)benzoyl]-3,5-dihydroxybenzoyl}oxy)cyclopentane
• 英文别名: 2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid；2-[2,6-dihydroxy-4-[(1R,2R)-2-[(4-hydroxybenzoyl)amino]cyclopentyl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
• 化学式: C₂₇H₂₃NO₁₀
• 分子量: 521.48
• InChiKey: IRGJDPZJEUYSKS-DYESRHJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  191
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,2-环氧环戊烷 在 palladium dihydroxide ammonium hydroxide 、 草酰氯 、 氢气 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (+/-)-trans-1-(4-hydroxybenzamido)-2-({4-[2-hydroxy-6-(hydroxycarbonyl)benzoyl]-3,5-dihydroxybenzoyl}oxy)cyclopentane
  参考文献：
  名称：

  Synthesis and Protein Kinase C Inhibitory Activities of Balanol Analogs with Replacement of the Perhydroazepine Moiety

  摘要：

  Balanol is a potent protein kinase C (PKC) inhibitor that is structurally composed of a benzophenone diacid, a 4-hydroxybenzamide, and a perhydroazepine ring. A number of balanol analogs in which the perhydroazepine moiety is replaced have been synthesized and their biological activities evaluated against both PKC and cAMP-dependent kinase (PKA). The results suggested that the activity and the isozyme/kinase selectivity of these compounds are largely related to the conformation about this nonaromatic structural element of the molecules.

  DOI：

  10.1021/jm960497g

文献信息

• Labeled pkg-1-alpha-binding compounds and their use in imaging and quantifying pain
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20160243266A1

  公开（公告）日：2016-08-25

  The present invention relates to the use of compounds that selectively bind to activated protein kinase G 1 alpha for imaging the anatomic basis for chronic pain. Such imaging may also be used to objectively quantify chronic pain.