PU-H71-NBD1 | 1333155-93-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: PU-H71-NBD1
• 英文别名: N-[3-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]propyl]-N'-(4-nitro-2,1,3-benzoxadiazol-7-yl)hexane-1,6-diamine
• CAS: 1333155-93-3
• 化学式: C₂₇H₂₉IN₁₀O₅S
• 分子量: 732.562
• InChiKey: UOOREIMJDPIWED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  222
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N1-(7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)hexane-1,6-diamine 、 9-(3-bromopropyl)-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以47%的产率得到PU-H71-NBD1
  参考文献：
  名称：

  Synthesis of purine-scaffold fluorescent probes for heat shock protein 90 with use in flow cytometry and fluorescence microscopy

  摘要：

  Fluorescent ligands for the heat shock protein 90 (Hsp90) were synthesized containing either fluorescein isothiocyanate (FITC), 4-nitrobenzo[1,2,5] oxadiazole (NBD) or the red shifted dye sulforhodamine 101 (Texas Red) conjugated to PU-H71. Two of the compounds, PU-H71-FITC2 (9) and PU-H71-NBD1 (8), were shown to be suitable for fluorescence-activated flow cytometry and fluorescence microscopy. Thus these molecules serve as useful probes for studying Hsp90 in heterogeneous live cell populations. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.026

文献信息

• USES OF LABELED HSP90 INHIBITORS
  申请人：Sloan Kettering Institute For Cancer Research

  公开号：EP3208615B1

  公开（公告）日：2019-10-09
• [EN] USES OF LABELED HSP90 INHIBITORS<br/>[FR] UTILISATIONS D'INHIBITEURS MARQUÉS DE HSP90
  申请人：SLOAN KETTERING INST CANCER

  公开号：WO2013009655A3

  公开（公告）日：2013-05-10
• US9555137B2
  申请人：——

  公开号：US9555137B2

  公开（公告）日：2017-01-31
• Synthesis of purine-scaffold fluorescent probes for heat shock protein 90 with use in flow cytometry and fluorescence microscopy
  作者：Tony Taldone、Erica M. Gomes-DaGama、Hongliang Zong、Siddhartha Sen、Mary L. Alpaugh、Danuta Zatorska、Raul Alonso-Sabadell、Monica L. Guzman、Gabriela Chiosis

  DOI：10.1016/j.bmcl.2011.07.026

  日期：2011.9

  Fluorescent ligands for the heat shock protein 90 (Hsp90) were synthesized containing either fluorescein isothiocyanate (FITC), 4-nitrobenzo[1,2,5] oxadiazole (NBD) or the red shifted dye sulforhodamine 101 (Texas Red) conjugated to PU-H71. Two of the compounds, PU-H71-FITC2 (9) and PU-H71-NBD1 (8), were shown to be suitable for fluorescence-activated flow cytometry and fluorescence microscopy. Thus these molecules serve as useful probes for studying Hsp90 in heterogeneous live cell populations. (C) 2011 Elsevier Ltd. All rights reserved.