4-bromobutyric acid 2-trimethylsilanyl-ethyl ester | 1018900-40-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-bromobutyric acid 2-trimethylsilanyl-ethyl ester
• 英文别名: 2-(trimethylsilyl)ethyl 4-bromobutanoate；2-(trimethylsilyl)ethyl 4-bromobutyrate；2-Trimethylsilylethyl 4-bromobutanoate
• CAS: 1018900-40-7
• 化学式: C₉H₁₉BrO₂Si
• 分子量: 267.238
• InChiKey: HQIVAMGORCTTTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.04
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromobutyric acid 2-trimethylsilanyl-ethyl ester 在 N-羟基-7-氮杂苯并三氮唑 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 5.33h， 生成 allyl (2S,3S,4S,5R,6S)-3,4,5-tris(((allyloxy)carbonyl)oxy)-6-(4-((((2-((S)-2-(hydroxymethyl)piperidine-1-carbonyl)-4-methoxy-5-(4-oxo-4-(2-(trimethylsilyl)ethoxy)butoxy)phenyl)carbamoyl)oxy)methyl)-2-nitrophenoxy)tetrahydro-2H-pyran-2-carboxylate
  参考文献：
  名称：

  CYTOTOXIC COMPOUNDS

  摘要：

  The present disclosure provides, inter alia, glycosylated compounds and conjugates thereof useful for treating cancer.

  公开号：

  WO2024127332A1
• 作为产物：
  描述：

  2-(三甲硅基)乙醇 、 4-溴丁酸 在 N,N'-二环己基碳二亚胺 作用下， 以 氯仿 为溶剂， 生成 4-bromobutyric acid 2-trimethylsilanyl-ethyl ester
  参考文献：
  名称：

  基于双苯甲酰胺支架的新型两亲性α-螺旋模拟物

  摘要：

  为了模拟两亲性的α-螺旋，基于双苯甲酰胺设计了一种新的支架，该支架将四个侧链官能团置于螺旋的i，i + 2，i + 5和i + 7位置。它的两个氢键固定构象并提供四个取代基的精确双面排列，同时代表两个相对的螺旋面。实现了双苯甲酰胺的有效合成途径，并通过X射线晶体学证实了其优异的α-螺旋模拟性。

  DOI：

  10.1021/ol901785v

文献信息

• 双-(10-去氧双氢青蒿素)-间苯三酚衍生物的制备及应用
  申请人：云白药征武科技（上海）有限公司

  公开号：CN114213435B

  公开（公告）日：2023-03-21

  本发明公开了一种双‑(10‑去氧双氢青蒿素)‑间苯三酚衍生物，其结构式如下所示，
• Probing lipid- and drug-binding domains with fluorescent dyes
  作者：Shannon L. Black、Will A. Stanley、Fabian V. Filipp、Michelle Bhairo、Ashwani Verma、Oliver Wichmann、Michael Sattler、Matthias Wilmanns、Carsten Schultz

  DOI：10.1016/j.bmc.2007.10.080

  日期：2008.2.1

  A series of 2- and 3-OH Nile red dyes was prepared in order to generate water-soluble probes that could be used to probe lipid binding to proteins. Various substitutions in positions 243-, 6-, and 7-shifted wavelengths while maintaining the environmental sensitivity of Nile red. In order to increase the solubility of the dyes in aqueous solutions, we attached butyric acid groups to the 2- or 3-OH position. In addition., phenothiazine dyes, which exhibited particularly long excitation properties, were synthesized and tested for the first time. All dyes showed Stoke's shifts of 70-100 nm and changes in excitation and emission of over 100 nm, depending on the hydrophobicity of the environment. Binding studies with bovine serum albumin and the non-specific lipid transfer protein SCP2 revealed emission changes of more than 30 nm upon binding to the protein and a five-fold increase in emission intensity. Titration of the dye-loaded proteins with various lipids or drugs replaced the dye and thereby reversed the shift in wavelength intensity. This allowed us to estimate the lipid binding affinity of the investigated proteins. For SCP2, isothermal calorimetry (ITC) data verified the titration experiments. NMR titration experiments of SCP2 with Nile red 2-O-butyric acid (1a) revealed that the dye is bound within the lipid binding pocket and competes with lipid ligands for this binding site. These results give valuable insight into lipid and drug transport by proteins outside and inside cells. (c) 2007 Elsevier Ltd. All rights reserved.
• Novel Amphiphilic α-Helix Mimetics Based on a Bis-benzamide Scaffold
  作者：Srinivasa Marimganti、Murthy N. Cheemala、Jung-Mo Ahn

  DOI：10.1021/ol901785v

  日期：2009.10.1

  To mimic amphiphilic α-helices, a new scaffold was designed based on a bis-benzamide that places four side-chain functional groups found at the i, i+2, i+5, and i+7 positions of a helix. Its two hydrogen bonds fix the conformation and provide accurate bifacial arrangement of the four substituents, simultaneously representing two opposing helical sides. An efficient synthetic route was achieved for

  为了模拟两亲性的α-螺旋，基于双苯甲酰胺设计了一种新的支架，该支架将四个侧链官能团置于螺旋的i，i + 2，i + 5和i + 7位置。它的两个氢键固定构象并提供四个取代基的精确双面排列，同时代表两个相对的螺旋面。实现了双苯甲酰胺的有效合成途径，并通过X射线晶体学证实了其优异的α-螺旋模拟性。
• CYTOTOXIC COMPOUNDS
  申请人：[en]PHEON THERAPEUTICS LTD

  公开号：WO2024127332A1

  公开（公告）日：2024-06-20

  The present disclosure provides, inter alia, glycosylated compounds and conjugates thereof useful for treating cancer.