5-azidomethylisophthalic acid dipentafluorophenyl ester | 849418-73-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 5-azidomethylisophthalic acid dipentafluorophenyl ester
• 英文别名: Bis(2,3,4,5,6-pentafluorophenyl) 5-(azidomethyl)benzene-1,3-dicarboxylate
• CAS: 849418-73-1
• 化学式: C₂₁H₅F₁₀N₃O₄
• 分子量: 553.272
• InChiKey: JCVYEQRCLSJGDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  67
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5-azidomethylisophthalic acid dipentafluorophenyl ester 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 21.5h， 生成 (41R,42R,101R,102R)-15-(aminomethyl)-3,5,9,11-tetraaza-1,7(1,3)-dibenzena-4,10(1,2)-dicyclohexanacyclododecaphane-2,6,8,12-tetraone
  参考文献：
  名称：

  Stereoselective Recognition of Tripeptides Guided by Encoded Library Screening:  Construction of Chiral Macrocyclic Tetraamide Ruthenium Receptor for Peptide Sensing

  摘要：

  [GRAPHICS]Molecule sensor 1 is devised by incorporating the reporting unit of ruthenium(II) complex and two recognition motifs of chiral cyclotetraamides on the sidearms. The target binding tripeptides for sensor 1 were readily identified by using an encoded library screening method. This solid-phase screening indicated a preferable binding of molecule 1 with D-alanine over the L-isomer. The optical and NMR studies for the binding events of 1 with tripeptides Ac-Ala-Gly-Ala-NHC12H25 in the solution phase showed a consistent trend for the stereoselective recognition of the DD-isomer over the LD-, DL-, and LL-isomers.

  DOI：

  10.1021/jo048368s
• 作为产物：
  描述：

  dimethyl 5-(azidomethyl)isophthalate 在 4-二甲氨基吡啶 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 水 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 5-azidomethylisophthalic acid dipentafluorophenyl ester
  参考文献：
  名称：

  COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME

  摘要：

  Compounds or salts thereof represented by formula (I): wherein X indicates a leaving group, Y indicates an affinity peptide having a binding region in a CH2 domain in an immunoglobulin unit comprising two heavy chains and two light chains, M indicates a trivalent group linking the carbon atom in C═O adjacent to M and the carbon atom in C═W via a main chain portion consisting of 3 to 5 carbon atoms, O indicates an oxygen atom, S indicates a sulfur atom, W indicates an oxygen atom or a sulfur atom, N 3 indicates an azide group, La indicates a bond or a divalent group, and Lb indicates a bond or a divalent group; and antibodies or salts thereof which can be prepared using such a compound or salt thereof, are useful for controlling the bonding ratio of an antibody and a modifying group within a desired range.

  公开号：

  US20240115719A1

文献信息

• A Fluorescence Sensor for Detection of Geranyl Pyrophosphate by the Chemo-Ensemble Method
  作者：Kuan-Hung Chen、Jen-Hai Liao、Hsin-Yu Chan、Jim-Min Fang

  DOI：10.1021/jo802173b

  日期：2009.1.16

  Hexaamide receptor 4 and coumarin phosphate 5 form an ensemble for effective sensing of geranyl pyrophosphate (GPP). Fluorescence resonance energy transfer in the 4 + 5 ensemble diminishes when 5 is replaced by GPP. Receptor 4 binds selectively with GPP over other anions, including fatty acids. The 4-GPP complex in 1: 1 stoichiometry is inferred by NMR and fluorescence titrations. Receptor 4 contains a pseudotetrahedral cleft to accommodate GPP via Multiple hydrogen bonds, and the two aliphatic chains exert additional hydrophobic interactions.
• Stereoselective Recognition of Tripeptides Guided by Encoded Library Screening:  Construction of Chiral Macrocyclic Tetraamide Ruthenium Receptor for Peptide Sensing
  作者：Kuei-Hua Chang、Jen-Hai Liao、Chao-Tsen Chen、Barun K. Mehta、Pi-Tai Chou、Jim-Min Fang

  DOI：10.1021/jo048368s

  日期：2005.3.1

  [GRAPHICS]Molecule sensor 1 is devised by incorporating the reporting unit of ruthenium(II) complex and two recognition motifs of chiral cyclotetraamides on the sidearms. The target binding tripeptides for sensor 1 were readily identified by using an encoded library screening method. This solid-phase screening indicated a preferable binding of molecule 1 with D-alanine over the L-isomer. The optical and NMR studies for the binding events of 1 with tripeptides Ac-Ala-Gly-Ala-NHC12H25 in the solution phase showed a consistent trend for the stereoselective recognition of the DD-isomer over the LD-, DL-, and LL-isomers.
• COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED BY USING THE SAME
  申请人：Ajinomoto Co., Inc.

  公开号：US20240115719A1

  公开（公告）日：2024-04-11

  Compounds or salts thereof represented by formula (I): wherein X indicates a leaving group, Y indicates an affinity peptide having a binding region in a CH2 domain in an immunoglobulin unit comprising two heavy chains and two light chains, M indicates a trivalent group linking the carbon atom in C═O adjacent to M and the carbon atom in C═W via a main chain portion consisting of 3 to 5 carbon atoms, O indicates an oxygen atom, S indicates a sulfur atom, W indicates an oxygen atom or a sulfur atom, N 3 indicates an azide group, La indicates a bond or a divalent group, and Lb indicates a bond or a divalent group; and antibodies or salts thereof which can be prepared using such a compound or salt thereof, are useful for controlling the bonding ratio of an antibody and a modifying group within a desired range.