甲烷硫代磺酸戊酯 | 4212-64-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 甲烷硫代磺酸戊酯
• 中文别名: 4-(2-氨基-苯基)-哌啶-1-羧酸叔-丁基酯
• 英文名称: Methanethiosulfonic acid S-pentyl ester
• 英文别名: Pentyl methanethiosulfonate；1-methylsulfonylsulfanylpentane
• CAS: 4212-64-0
• 化学式: C₆H₁₄O₂S₂
• mdl: MFCD01863445
• 分子量: 182.308
• InChiKey: NLAGODKDWMVHDO-UHFFFAOYSA-N

物化性质

• 沸点：
  308.9±11.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)
• 溶解度：
  乙腈（微溶）、氯仿（微溶）、二氯甲烷（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  甲烷硫代磺酸戊酯 在 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 tert-butyl (2-(((4S,7S,10S)-10-((S)-4-((tert-butoxycarbonyl)amino)-N-methyl-2-(4-methyl-2-(4-(pentyldisulfanyl)phenyl)pyrimidine-5-carboxamido)butanamido)-26-(2-((tert-butoxycarbonyl)amino)ethoxy)-4-((cyanomethyl)carbamoyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-16-yl)oxy)ethyl)carbamate
  参考文献：
  名称：

  抗多重耐药革兰氏阴性菌的新型 Arylomycin 的设计、合成和生物学评价

  摘要：

  G0775是一种正在临床前研究中评估的arylomycin型SPase I抑制剂，对一些革兰氏阴性菌表现出有效的抗菌活性，但同时也存在抗菌谱窄、药代动力学特性差等缺陷。在此，进行了系统的结构修饰，包括大环骨架、弹头和亲脂区域的优化。优化最终发现了138f ，它对临床分离的碳青霉烯类耐药革兰氏阴性菌，特别是鲍曼不动杆菌和铜绿假单胞菌表现出更有效的活性和更广的谱。 162 （ 138f的游离胺）在大鼠中表现出优异的药代动力学特征。在多重耐药铜绿假单胞菌感染的中性粒细胞减少小鼠大腿模型中， 162的强效体内抗菌功效得到证实，并且优于 G0775（集落形成单位 (CFU) 减少 3.5 个对数 vs 1.1 个对数） ）。这些结果支持162作为进一步研究的潜在抗菌剂。

  DOI：

  10.1021/acs.jmedchem.4c00018
• 作为产物：
  描述：

  1-溴戊烷 、 potassium methanethiosulphonate 生成 甲烷硫代磺酸戊酯
  参考文献：
  名称：

  Reactions of Thiolsulfonates with Amines

  摘要：

  DOI：

  10.1021/jo01347a025

文献信息

• Compositions, methods, systems, and kits for affinity purification
  申请人：Nicol R. Gordon

  公开号：US20070148721A1

  公开（公告）日：2007-06-28

  The invention provides a method of separating proteins and peptides of a sample comprising contacting the sample with a Pd coordination compound. The Pd coordination compound binds to sulfur and/or nitrogen groups and thus is useful for purifying biomolecules comprising cysteine, methionine, histidine amino acids or derivatized amino acids/residues comprising sulfur or nitrogen groups which bind to coordination sites on the Pd coordination compounds. The invention also relates to methods, systems and kits for using the Pd coordination compound.
• METHODS FOR THE FORMATION OF HYDROGELS USING THIOSULFONATE COMPOSITIONS AND USES THEREOF
  申请人：FANG Zhihao

  公开号：US20120289609A1

  公开（公告）日：2012-11-15

  The present invention provides both crosslinked polymer compositions capable of forming hydrogels upon exposure to an aqueous environment and thiosulfonate hydrogel-forming components. The thiosulfonate hydrogel-forming components of the invention are preferably multi-arm thiosulfonate polymer derivatives that form a crosslinked polymer composition when exposed to a base without requiring the presence of a second cross-linking reagent, redox catalyst, or radiation. Methods for forming hydrogel compositions, as well as methods for using the hydrogels, are also provided.
• US8450390B2
  申请人：——

  公开号：US8450390B2

  公开（公告）日：2013-05-28
• [EN] COMPOSITIONS, METHODS, SYSTEMS, AND KITS FOR AFFINITY PURIFICATION<br/>[FR] COMPOSITIONS, PROCEDES, SYSTEMES, ET KITS POUR PURIFICATION D'AFFINITE
  申请人：AGILENT TECHNOLOGIES INC

  公开号：WO2006026416A1

  公开（公告）日：2006-03-09

  The invention provides a method of separating proteins and peptides of a sample comprising contacting the sample with a Pt coordination compound stably associated with a substrate. The Pt coordination compound binds to sulfur and/or nitrogen groups and thus is useful for purifying biomolecules comprising cysteine, methionine, histidine amino acids or derivatized amino acids/residues comprising sulfur or nitrogen groups which bind to coordination sites on the Pt coordination compounds, including their modified, unmodified, processed and unprocessed forms. Also disclosed are methods, systems and kits for using the Pt coordination compound. In certain embodiments the purified proteins and/or peptides may be analyzed using, for example, mass spectrometry to identify and quantify proteins and/or peptides in a sample, such as a proteome or peptidome.
• Reactions of Thiolsulfonates with Amines
  作者：Joseph E. Dunbar、Joan H. Rogers

  DOI：10.1021/jo01347a025

  日期：1966.9