2-碘-乙酸2-[甲基(7-硝基-2,1,3-苯并恶二唑-4-基)氨基]乙基酯 | 67013-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 中文名称: 2-碘-乙酸2-[甲基(7-硝基-2,1,3-苯并恶二唑-4-基)氨基]乙基酯
• 英文名称: IANBD
• 英文别名: 4--7-nitrobenz-2-oxa-1,3-diazole；4--N-methylamino>-7-nitro-2,1,3-benzoxadiazole；N-<<2-(iodoacetoxy)ethyl>-N-methyl>amino-7-nitro-2,1,3-benzoxadiazole；4-(N-(iodoacetoxy)ethyl-N-methyl)amino-7-nitrobenz-2-oxa-1,3-diazole；2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-iodoacetate
• CAS: 67013-48-3
• 化学式: C₁₁H₁₁IN₄O₅
• 分子量: 406.137
• InChiKey: BEDDXHFONHIYPB-UHFFFAOYSA-N

物化性质

• 沸点：
  523.3±60.0 °C(Predicted)
• 密度：
  1.893±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-碘-乙酸2-[甲基(7-硝基-2,1,3-苯并恶二唑-4-基)氨基]乙基酯 、 (+/-)-myo-inositol 1-phosphorothioate 4,5-bisphosphate 以 乙醇 为溶剂， 反应 2.0h， 以57%的产率得到S-<2--ethoxycarbonylmethyl>-(+/-)-myo-inositol 1-phosphorothioate 4,5-bisphosphate
  参考文献：
  名称：

  第二信使类似物D-全合成肌醇光学DL-1-的分辨率：肌醇-1-磷酸酯4,5-二磷酸ø -烯丙基-2,3,6-三ö苄基肌-肌醇和荧光标记的肌肌醇1,4,5-三磷酸

  摘要：

  用于合成两条路线肌醇肌醇1,4,5-三磷酸类似物肌醇肌醇-1-磷酸酯4,5-二磷酸已经设计。DL -2,3,6-三- ø -苄基-1- Ö - （顺式-丙-1-烯基） -肌醇肌醇制备自DL -1- ø -烯丙基-2,3,6-三Ø苄基肌肌醇和磷酸化来保护4,5-二磷酸。除去丙烯基团产生的DL -1,2,4-三-O-苄基-5,6-双[双（2-氰基乙氧基）磷酸]-肌醇被硫代磷酸化，得到DL-2,3,6-三ø -苄基-1- ö - [二（2-氰基乙氧基）thiophospho] -4,5-二〔二（2-氰基乙氧基）磷酸] -肌醇肌醇。脱保护得到外消旋的肌-肌醇1-硫代磷酸酯4，5-双磷酸酯，其与荧光标记的碘酮反应生成荧光标记的肌醇1,4,5-三磷酸类似物。借助结晶的4，5-双樟脑酸酯将DL -1- O-烯丙基-2,3,6-三-O-苄基-肌醇分解为对映体。1和d - （+） - 1- ø -烯丙基-2

  DOI：

  10.1039/p19920002899

文献信息

• Total synthesis of the second messenger analogue D-myo-inositol 1-phosphorothioate 4,5-bisphosphate: optical resolution of DL-1-O-allyl-2,3,6-tri-O-benzyl-myo-inositol and fluorescent labelling of myo-inositol 1,4,5-trisphosphate
  作者：Dethard Lampe、Stephen J. Mills、Barry V. L. Potter

  DOI：10.1039/p19920002899

  日期：——

  is(2-cyanoethoxy)thiophospho]-4,5-bis[bis(2-cyanoethoxy)phospho]-myo-inositol. Deblocking afforded racemic myo-inositol 1-phosphorothioate 4,5-bisphosphate, which was reacted with the iodoketone of a fluorescent label to generate a fluorescently labelled inositol 1,4,5-trisphosphate analogue. DL-1-O-Allyl-2,3,6-tri-O-benzyl-myo-inositol was resolved into its enantiomers by means of the crystalline

  用于合成两条路线肌醇肌醇1,4,5-三磷酸类似物肌醇肌醇-1-磷酸酯4,5-二磷酸已经设计。DL -2,3,6-三- ø -苄基-1- Ö - （顺式-丙-1-烯基） -肌醇肌醇制备自DL -1- ø -烯丙基-2,3,6-三Ø苄基肌肌醇和磷酸化来保护4,5-二磷酸。除去丙烯基团产生的DL -1,2,4-三-O-苄基-5,6-双[双（2-氰基乙氧基）磷酸]-肌醇被硫代磷酸化，得到DL-2,3,6-三ø -苄基-1- ö - [二（2-氰基乙氧基）thiophospho] -4,5-二〔二（2-氰基乙氧基）磷酸] -肌醇肌醇。脱保护得到外消旋的肌-肌醇1-硫代磷酸酯4，5-双磷酸酯，其与荧光标记的碘酮反应生成荧光标记的肌醇1,4,5-三磷酸类似物。借助结晶的4，5-双樟脑酸酯将DL -1- O-烯丙基-2,3,6-三-O-苄基-肌醇分解为对映体。1和d - （+） - 1- ø -烯丙基-2
• Synthesis of myo-inositol 1-phosphorothioate 4,5-bisphosphate: preparation of a fluorescently labelled myo-inositol 1,4,5-trisphosphate analogue
  作者：Dethard Lampe、Barry V. L. Potter

  DOI：10.1039/c39900001500

  日期：——

  Synthesis of myo-inositol 1-phosphorothioate 4,5-bisphosphate, a novel analogue of the second messenger myo-inositol 1,4,5-trisphosphate allows, for the first time, the attachment of a fluorescent reporter group at the 1-position.

  的合成肌醇肌醇-1-磷酸酯-4,5-二磷酸，第二信使的新颖类似物肌醇肌醇1,4,5-三磷酸允许，对于第一次，荧光报告基团中的1位的连接。
• PEPTIDE LIBRARIES
  申请人：Winter Gregory Paul

  公开号：US20120172235A1

  公开（公告）日：2012-07-05

  The invention relates to a method for altering the conformational diversity of a first repertoire of polypeptide ligands, comprising a plurality of polypeptides comprising at least two reactive groups separated by a loop sequence covalently linked to a molecular scaffold which forms covalent bonds with said reactive groups, to produce a second repertoire of polypeptide ligands, comprising assembling said second repertoire from the polypeptides and structural scaffold of said first repertoire, incorporating one of the following alterations: (a) altering at least one reactive group; or (b) altering the nature of the molecular scaffold; or (c) altering the bond between at least one reactive group and the molecular scaffold; or (d) any combination of (a), (b) or (c).

  本发明涉及一种改变多肽配体第一库的构象多样性的方法，该多肽配体第一库包括至少两个反应基团，这些反应基团由一个环序列共价连接到一个分子支架上，该分子支架与所述反应基团形成共价键，以产生多肽配体第二库。该方法包括从第一库的多肽和结构支架组装第二库，包括以下一种或多种改变：（a）改变至少一个反应基团；（b）改变分子支架的性质；（c）改变至少一个反应基团和分子支架之间的键；或（d）（a）和/或（b）和/或（c）的任意组合。
• Fret protease assays for clostridial toxins
  申请人：ALLERGAN, INC.

  公开号：EP1901069A1

  公开（公告）日：2008-03-19

  The present invention provides clostridial toxin substrates useful in assaying for the protease activity of any clostridial toxin, including botulinum toxins of all serotypes as well as tetanus toxins. A clostridial toxin substrate of the invention contains a lanthanide donor fluorophore; an acceptor having an absorbance spectrum overlapping the emission spectrum of the lanthanide donor fluorophore; and a clostridial toxin recognition sequence that includes a cleavage site, where the cleavage site intervenes between the lanthanide donor fluorophore and the acceptor and where, under the appropriate conditions, resonance energy transfer is exhibited between the lanthanide donor fluorophore and the acceptor.

  本发明提供的梭菌毒素底物可用于检测任何梭菌毒素的蛋白酶活性，包括所有血清型的肉毒杆菌毒素和破伤风毒素。本发明的梭菌毒素底物包含一个镧系供体荧光团；一个受体，其吸收光谱与镧系供体荧光团的发射光谱重叠；以及一个梭菌毒素识别序列，该序列包括一个裂解位点，裂解位点位于镧系供体荧光团和受体之间，在适当条件下，镧系供体荧光团和受体之间会发生共振能量转移。
• Reagentless fluorescent biosensors comprising a designed ankyrin repeat module and methods of their design and use
  申请人：Institut Pasteur

  公开号：EP2103936A1

  公开（公告）日：2009-09-23

  The invention relates to a reagentless peptide biosensor capable of recognising at least one ligand. This biosensor comprises at least one ankyrin repeat module and with this ankyrin repeat at least one cysteine residue coupled to a fluorophore. In a preferred embodiment the fluorophore is linked to a residue which has an altered solvent accessible surface area when the biosensor binds to its ligand. The invention also relates to various methods of designing such reagentless biosensors and to multivalent biosensors capable of binding with increased avidity to a ligand or capable of recognising multiple ligands simultaneously.

  本发明涉及一种能够识别至少一种配体的无试剂肽生物传感器。该生物传感器包括至少一个炔蛋白重复模块，以及与该炔蛋白重复模块一起与荧光团连接的至少一个半胱氨酸残基。在一个优选的实施方案中，荧光团与一个残基相连，当生物传感器与其配体结合时，该残基具有改变的溶剂可及表面积。本发明还涉及设计这种无试剂生物传感器的各种方法，以及能够以更高的热敏性与配体结合或能够同时识别多种配体的多价生物传感器。