{2-[2-(2-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester | 688024-58-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: {2-[2-(2-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[2-[2-[[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]amino]ethoxy]ethoxy]ethyl]carbamate
• CAS: 688024-58-0
• 化学式: C₃₄H₄₁N₃O₇
• 分子量: 603.715
• InChiKey: VTDIJMVBNYLXQU-UHFFFAOYSA-N

物化性质

• 沸点：
  805.5±65.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  44
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  {2-[2-(2-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester 在 哌啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以80%的产率得到tert-butyl N-[2-[2-[2-[[4-(aminomethyl)benzoyl]amino]ethoxy]ethoxy]ethyl]carbamate
  参考文献：
  名称：

  [EN] FACILITATED FORWARD CHEMICAL GENETICS USING TAGGED TRIAZINE LIBRARY
  [FR] GENETIQUE CHIMIQUE FACILITEE VERS L'AVANT UTILISANT UNE BANQUE DE TRIAZINES MARQUEES

  摘要：

  公开号：

  WO2004099106A3
• 作为产物：
  描述：

  1,8-二氨基-3,6-二氧杂辛烷 在 1-羟基苯并三唑 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 {2-[2-(2-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Facilitated Forward Chemical Genetics Using a Tagged Triazine Library and Zebrafish Embryo Screening

  摘要：

  An improved forward chemical genetics approach was successfully demonstrated using a tagged library concept. A small-molecule triazine library with linkers was used to screen for brain/eye developmental phenotypes in a zebrafish embryo system. This approach enabled the rapid isolation of the target proteins by facile affinity matrix preparation and elucidated the first small-molecule inhibitors for several ribosomal accessory proteins or their complex as the target.

  DOI：

  10.1021/ja035334d

文献信息

• Facilitated forward chemical genetics using tagged triazine library
  申请人：Chang Young-Tae

  公开号：US20050019831A1

  公开（公告）日：2005-01-27

  A novel tagged triazine library is provided in which three building blocks are prepared separately and assembled orthogonally to yield 1536 highly pure compounds. Each library compound contains a variety of a triethyleneglycol (TG) linker at one of the diversity sites of the triazine scaffold.
• US7749940B2
  申请人：——

  公开号：US7749940B2

  公开（公告）日：2010-07-06
• [EN] NUCLEOTIDE-BINDING PROTEIN-DIRECTED PROBES AND METHODS OF THEIR SYNTHESIS AND USE<br/>[FR] SONDES DIRIGEES SUR DES PROTEINES SE LIANT AUX NUCLEOTIDES ET PROCEDES DE SYNTHESE ET D'UTILISATION CORRESPONDANTS
  申请人：ACTIVX BIOSCIENCES INC

  公开号：WO2004040003A2

  公开（公告）日：2004-05-13

  The present invention provides nucleotide binding protein-directed affinity probes ('NBAPS'), and methods of their preparation and use. The subject methods and compositions can provide enhanced simplicity and accuracy in identifying changes in the presence, amount, or activity of nucleotide binding proteins in a complex protein mixture, preferably kinases, and most preferably active forms of kinases, using NBAPs that bind to target nucleotide binding protein(s). The profiling methods described herein can have a number of steps leading to the identification of target nucleotide binding protein(s) in a complex protein mixture.