N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide trifluoroacetate | 655224-74-1

• 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: N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide trifluoroacetate
• 英文别名: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide;2,2,2-trifluoroacetic acid
• CAS: 655224-74-1
• 化学式: C₂HF₃O₂*C₁₅H₁₉F₃N₄O₃
• 分子量: 474.36
• InChiKey: RDIOQKSBMTXTOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.22
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide trifluoroacetate 、 异丙醇 生成 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(2,2,2-trifluoro-1-isopropoxyethyl)benzamide 、 N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-(1,1,1-trifluoro-3-hydroxy-3-methylbutan-2-yl)benzamide 、 N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(1,1,1-trifluoro-4-hydroxypentan-2-yl)benzamide
  参考文献：
  名称：

  Distribution of photo-cross-linked products from 3-aryl-3-trifluoromethyldiazirines and alcohols

  摘要：

  The photolysis of N-[4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoyl]-2,2'-ethylenedioxybis(ethylamine) (1) in EtOH, PrOH, i-PrOH, BuOH, and i-BuOH was carried out in both solution (at room temperature) and solid phase (at -196 degrees C), and the resultant C-H and O-H insertion products were analyzed semi-quantitatively by LC/ESl-MS/MS. The carbene insertion reactions at low temperature produced all possible C-H and O-H insertion products in a relatively uniform distribution, which could not be accomplished by the solution-phase reaction. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.04.031
• 作为产物：
  描述：

  tert-butyl (2-(2-(2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)ethoxy)ethoxy)ethyl)carbamate 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 1.5h， 以81%的产率得到N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide trifluoroacetate
  参考文献：
  名称：

  光活化纤维素膜 (CISCM) 上的化合物相互作用筛选可识别药物靶点

  摘要：

  平行鉴定：我们在纤维素膜 (CISCM) 上展示了一种新的化合物相互作用筛选，它将化合物在纤维素上的无向光固定化与亲和纯化质谱和无标记定量 (LFQ) 相结合，以并行鉴定多种化合物的蛋白质靶标。

  DOI：

  10.1002/cmdc.202200346

文献信息

• METHOD OF FIXING LOW-MOLECULAR COMPOUND TO SOLID-PHASE SUPPORT
  申请人：RIKEN

  公开号：EP1612556A1

  公开（公告）日：2006-01-04

  A method of fixing a low-molecular compound to a solid-phase support, which comprises a step in which a solution containing a low-molecular compound is brought into contact with a solid-phase support having a photoreactive compound bonded to the surface, a step in which the solution containing a low-molecular compound is evaporated to dryness in the state of being in contact with the solid-phase support, and a step in which the solid-phase support is irradiated with light to form a covalent bond between the photoreactive compound and the low-molecular compound. This fixing method enables a low-molecular compound to be fixed to a solid-phase support without the aid of a functional group.

  一种将低分子化合物固定到固相支持物上的方法，它包括以下步骤：将含有低分子化合物的溶液与固相支持物接触，固相支持物的表面键合有光敏化合物；在与固相支持物接触的状态下，将含有低分子化合物的溶液蒸发至干燥；用光照射固相支持物，使光敏化合物与低分子化合物之间形成共价键。这种固定方法可使低分子化合物在不借助官能团的情况下固定在固相支架上。
• Method of fixing low-molecular compound to solid-phase support
  申请人：Osada Hiroyuki

  公开号：US20060194251A1

  公开（公告）日：2006-08-31

  A method of fixing a low-molecular compound to a solid-phase support, which comprises a step in which a solution containing a low-molecular compound is brought into contact with a solid-phase support having a photoreactive compound bonded to the surface, a step in which the solution containing a low-molecular compound is evaporated to dryness in the state of being in contact with the solid-phase support, and a step in which the solid-phase support is irradiated with light to form a covalent bond between the photoreactive compound and the low-molecular compound. This fixing method enables a low-molecular compound to be fixed to a solid-phase support without the aid of a functional group.

  一种将低分子化合物固定到固相支持物上的方法，它包括以下步骤：将含有低分子化合物的溶液与固相支持物接触，固相支持物的表面键合有光敏化合物；在与固相支持物接触的状态下，将含有低分子化合物的溶液蒸发至干燥；用光照射固相支持物，使光敏化合物与低分子化合物之间形成共价键。这种固定方法可使低分子化合物在不借助官能团的情况下固定在固相支架上。
• US7713706B2
  申请人：——

  公开号：US7713706B2

  公开（公告）日：2010-05-11
• Distribution of photo-cross-linked products from 3-aryl-3-trifluoromethyldiazirines and alcohols
  作者：Naoki Kanoh、Takemichi Nakamura、Kaori Honda、Hiroyuki Yamakoshi、Yoshiharu Iwabuchi、Hiroyuki Osada

  DOI：10.1016/j.tet.2008.04.031

  日期：2008.6

  The photolysis of N-[4-(3-trifluoromethyl-3H-diazirin-3-yl)benzoyl]-2,2'-ethylenedioxybis(ethylamine) (1) in EtOH, PrOH, i-PrOH, BuOH, and i-BuOH was carried out in both solution (at room temperature) and solid phase (at -196 degrees C), and the resultant C-H and O-H insertion products were analyzed semi-quantitatively by LC/ESl-MS/MS. The carbene insertion reactions at low temperature produced all possible C-H and O-H insertion products in a relatively uniform distribution, which could not be accomplished by the solution-phase reaction. (C) 2008 Elsevier Ltd. All rights reserved.
• Compound Interaction Screen on a Photoactivatable Cellulose Membrane (CISCM) Identifies Drug Targets
  作者：F. Teresa I. Melder、Peter Lindemann、Alexander Welle、Vanessa Trouillet、Stefan Heißler、Marc Nazaré、Matthias Selbach

  DOI：10.1002/cmdc.202200346

  日期：2022.10.6

  Parallel identification: We present a new compound interaction screen on a cellulose membrane (CISCM) that combines undirected photoimmobilization of compounds on cellulose with affinity purification mass spectrometry and label free quantification (LFQ) to identify the protein targets of several compounds in parallel.

  平行鉴定：我们在纤维素膜 (CISCM) 上展示了一种新的化合物相互作用筛选，它将化合物在纤维素上的无向光固定化与亲和纯化质谱和无标记定量 (LFQ) 相结合，以并行鉴定多种化合物的蛋白质靶标。