N-(2-methyl-benzothiazolyl-6-yl)-9-fluorenylmethyl carbamate | 345664-14-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-(2-methyl-benzothiazolyl-6-yl)-9-fluorenylmethyl carbamate
• 英文别名: 9H-fluoren-9-ylmethyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
• CAS: 345664-14-4
• 化学式: C₂₃H₁₈N₂O₂S
• 分子量: 386.474
• InChiKey: UHTUALZLYXPWEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-methyl-benzothiazolyl-6-yl)-9-fluorenylmethyl carbamate 在 哌啶 作用下， 以 硝基苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 6-Acetylamino-2-{(E)-3-[6-[2-[6-acetylamino-3-ethyl-3H-benzothiazol-(2E)-ylidene]-eth-(E)-ylideneamino]-3-ethyl-3H-benzothiazol-(2E)-ylidene]-propenyl}-3-ethyl-benzothiazol-3-ium; iodide
  参考文献：
  名称：

  Identification and structural determination of a potent p-selectin inhibitor

  摘要：

  Small quantities of a potent P-selectin inhibitor, 2 (IC50 = 0.2 muM), were isolated and an initial structure proposed based on 1D proton NMR. A reterosynthetic analysis of the proposed structure led us to a total synthesis of 2. NMR studies using the 2-D homo-TOCSY and NOESY and 2-D hetero-HMQC helped to confirm the structure of 2. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00298-4
• 作为产物：
  描述：

  6-氨基-2-甲基苯并噻唑 、 氯甲酸-9-芴基甲酯 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 15.0h， 以70%的产率得到N-(2-methyl-benzothiazolyl-6-yl)-9-fluorenylmethyl carbamate
  参考文献：
  名称：

  Identification and structural determination of a potent p-selectin inhibitor

  摘要：

  Small quantities of a potent P-selectin inhibitor, 2 (IC50 = 0.2 muM), were isolated and an initial structure proposed based on 1D proton NMR. A reterosynthetic analysis of the proposed structure led us to a total synthesis of 2. NMR studies using the 2-D homo-TOCSY and NOESY and 2-D hetero-HMQC helped to confirm the structure of 2. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00298-4

文献信息

• Live cell biosensors
  申请人：Hahn M. Klaus

  公开号：US20060029946A1

  公开（公告）日：2006-02-09

  The invention provides dyes, biosensors, and methods for using the dyes and biosensors to detect selected target molecules. The biosensors have a binding domain and a dye, or a dye which is attached directly to the target of interest. Binding domains contemplated by the invention include biomolecules or fragments of biomolecules that interact with target molecules of interest and can be specific to a given conformational state or covalent modification of the molecule (e.g. phosphorylation). In one embodiment, the binding domain of a biosensor is a single chain variable fragment (scFv) with a dye of the invention linked to a CDR3 region. The invention also provides environmentally sensitive dyes useful for detecting changes in the binding, conformational change, or posttranslational modification of the selected target.

  本发明提供染料、生物传感器及其使用方法，用于检测选定的目标分子。生物传感器具有结合域和染料，或者染料直接附着于感兴趣的目标上。本发明考虑的结合域包括与目标分子相互作用的生物分子或生物分子片段，可以特异性地针对分子的给定构象状态或共价修饰（例如磷酸化）。在一种实施方式中，生物传感器的结合域是单链可变片段（scFv），具有本发明的染料链接到CDR3区域。本发明还提供对环境敏感的染料，用于检测选定目标的结合、构象变化或翻译后修饰的变化。
• FLUORESCENT SIGNAL EMITTING LIVE CELL BIOSENSOR MOLECULES AND DYES FOR DETECTION AND QUANTIFICATION OF PROTEIN ACTIVITIES
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：EP1735453A2

  公开（公告）日：2006-12-27
• US7592188B2
  申请人：——

  公开号：US7592188B2

  公开（公告）日：2009-09-22
• [EN] LIVE CELL BIOSENSORS<br/>[FR] BIOCAPTEURS DE CELLULES VIVANTES
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2005088308A2

  公开（公告）日：2005-09-22

  The invention provides dyes, biosensors, and methods for using the dyes and biosensors to detect selected target molecules. The biosensors have a binding domain and a dye, or a dye which is attached directly to the target of interest. Binding domains contemplated by the invention include biomolecules or fragments of biomolecules that interact with target molecules of interest and can be specific to a given conformational state or covalent modification of the molecule (e.g. phosphorylation). In one embodiment, the binding domain of a biosensor is a single chain variable fragment (scFv) with a dye of the invention linked to a CDR3 region. The invention also provides environmentally sensitive dyes useful for detecting changes in the binding, conformational change, or posttranslational modification of the selected target.