2-((10-aminodecyl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-((10-aminodecyl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
• 英文别名: 2-(10-Aminodecylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide；2-(10-aminodecylamino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
• 化学式: C₂₇H₄₁N₅O₂
• 分子量: 467.655
• InChiKey: DPQOYRUZYMLZAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-乙酰基-5,5-二甲基-1,3-环己二酮 在 水 、 双氧水 、 一水合肼 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 二甲基亚砜 为溶剂， 反应 88.5h， 生成 2-((10-aminodecyl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide
  参考文献：
  名称：

  A highly selective Hsp90 affinity chromatography resin with a cleavable linker

  摘要：

  Over 200 proteins have been identified that interact with the protein chaperone Hsp90, a recognized therapeutic target thought to participate in non-oncogene addiction in a variety of human cancers. However, defining Hsp90 clients is challenging because interactions between Hsp90 and its physiologically relevant targets involve low affinity binding and are thought to be transient. Using a chemo-proteomic strategy, we have developed a novel orthogonally cleavable Hsp90 affinity resin that allows purification of the native protein and is quite selective for Hsp90 over its immediate family members, GRP94 and TRAP 1. We show that the resin can be used under low stringency conditions for the rapid, unambiguous capture of native Hsp90 in complex with a native client. We also show that the choice of linker used to tether the ligand to the insoluble support can have a dramatic effect on the selectivity of the affinity media. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.043

文献信息

• [EN] COMPOUNDS AND METHODS FOR TARGETING HSP90<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LE CIBLAGE DE HSP90
  申请人：UNIV DUKE

  公开号：WO2014025395A1

  公开（公告）日：2014-02-13

  Described herein are compounds that may selectively bind to Hsp90, methods of using the compounds, and kits including the compounds. The compounds may include detection moieties such as fluorophores that may allow for selective detection of Hsp90 in a sample.

  本文描述了可能选择性结合到Hsp90的化合物，使用这些化合物的方法，以及包括这些化合物的试剂盒。这些化合物可能包括检测基团，如荧光团，可以允许在样本中选择性地检测Hsp90。
• COMPOUNDS AND METHODS FOR TARGETING HSP90
  申请人：Duke University

  公开号：US20150191471A1

  公开（公告）日：2015-07-09

  Described herein are compounds that may selectively bind to Hsp90, methods of using the compounds, and kits including the compounds. The compounds may include detection moieties such as fluorophores that may allow for selective detection of Hsp90 in a sample.

  本文描述了可能选择性结合Hsp90的化合物，使用这些化合物的方法以及包括这些化合物的试剂盒。这些化合物可能包括检测部分，例如荧光染料，可以允许在样品中选择性检测Hsp90。
• Substituted 6-aminopurines for targeting HSP90
  申请人：Duke University

  公开号：US10112947B2

  公开（公告）日：2018-10-30

  Described herein are 6-aminopurine compounds comprising formula (III) that may selectively bind to Hsp90, methods of using the compounds, and kits including the compounds. Formula (III) may link to detection moieties such as fluorophores that may allow for selective detection of Hsp90 in a sample.

  本文描述了包含式（III）的可选择性结合 Hsp90 的 6-氨基嘌呤化合物、使用该化合物的方法以及包括该化合物的试剂盒。式（III）可与荧光团等检测分子连接，从而可选择性地检测样品中的 Hsp90。
• Substituted heterocycles for targeting HSP90
  申请人：Duke University

  公开号：US10442806B2

  公开（公告）日：2019-10-15

  Described herein are substituted indazoles comprising formula (II) that may selectively bind to Hsp90, methods of using the compounds, and kits including the compounds. Formula (II) may link to detection moieties such as fluorophores that may allow for selective detection of Hsp90 in a sample.

  本文描述了包含式（II）的可选择性结合 Hsp90 的取代吲唑、使用这些化合物的方法以及包含这些化合物的试剂盒。式（II）可与荧光团等检测分子连接，从而对样品中的 Hsp90 进行选择性检测。
• Substituted heterocycles for targeting Hsp90
  申请人：Duke University

  公开号：US10927115B2

  公开（公告）日：2021-02-23

  Substituted indazoles linked to a substituted adenine with a polyethylene glycol moiety selectively bind to Hsp90. The compounds include detection moieties such as fluorophores and are useful in methods and kits for selective detection of Hsp90 in a sample.

  与具有聚乙二醇分子的取代腺嘌呤连接的取代吲唑可选择性地与 Hsp90 结合。这些化合物包括检测分子，如荧光团，适用于选择性检测样品中 Hsp90 的方法和试剂盒。