2-(4-(2-碘乙酰氨基)苯基)氨基萘-6-磺酸 | 57450-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-(4-(2-碘乙酰氨基)苯基)氨基萘-6-磺酸
• 英文名称: IAANS
• 英文别名: 6-[4-[(2-iodoacetyl)amino]anilino]naphthalene-2-sulfonic acid
• CAS: 57450-03-0
• 化学式: C₁₈H₁₅IN₂O₄S
• 分子量: 482.299
• InChiKey: APZRMCOINHOQTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-(2-碘乙酰氨基)苯基)氨基萘-6-磺酸 、 glutamine binding protein N₁₆₀C mutant 生成 glutamine binding protein N₁₆₀C(IAANS labeled) mutant
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Fluorescently or spin-labeled kinases for rapid screening and identification of novel kinase inhibitor scaffolds
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2147979A1

  公开（公告）日：2010-01-27

  The present invention relates to a kinase labeled at an amino acid having a free thiol or amino group, wherein said amino acid is naturally present or introduced in the activation loop of said kinase, with (a) a thiol- or amino-reactive fluorophore sensitive to polarity changes in its environment; or (b) a thiol-reactive spin label, an isotope or an isotope-enriched thiol- or amino-reactive label, such that said fluorophore, spin label, isotope or isotope-enriched label does not inhibit the catalytic activity and does not interfere with the stability of the kinase. The invention furthermore relates to a method of screening for kinase inhibitor, a method of determining the kinetics of ligand binding and/or of dissociation of a kinase inhibitor and a method of generating mutated kinases suitable for the screening of kinase inhibitors using the kinase of the present invention.

  本发明涉及一种激酶，其标记在具有游离硫醇或氨基的氨基酸上，其中所述氨基酸天然存在或引入所述激酶的活化环中，具有(a)对其环境中极性变化敏感的硫醇或氨基反应荧光团；或 (b) 硫醇反应性自旋标签、同位素或同位素富集硫醇或氨基反应性标签，使得所述荧光团、自旋标签、同位素或同位素富集标签不抑制催化活性，也不干扰激酶的稳定性。本发明还涉及一种筛选激酶抑制剂的方法、一种确定配体结合动力学和/或激酶抑制剂解离动力学的方法，以及一种利用本发明的激酶生成适合筛选激酶抑制剂的突变激酶的方法。
• Development of fluorescently P-loop labeled kinases for screening of inhibitors
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2241619A1

  公开（公告）日：2010-10-20

  The present invention relates to a kinase labeled at an amino acid naturally present or introduced in the P-loop of said kinase, wherein said labeling is effected at a free thiol or amino group of said amino acid and said label is (a) a thiol- or amino-reactive fluorophore sensitive to polarity changes in its environment; or (b) a thiol-reactive spin label, an isotope or an isotope-enriched thiol- or amino-reactive label, such that said fluorophore, spin label, isotope or isotope-enriched label does not inhibit the catalytic activity and does not interfere with the stability of the kinase. The invention furthermore relates to a method of screening for kinase inhibitors, a method of determining the kinetics of ligand binding and/or of dissociation of a kinase inhibitor and a method of generating mutated kinases suitable for the screening of kinase inhibitors using the kinase of the present invention.

  本发明涉及一种激酶，该激酶被标记在天然存在或被引入该激酶P环的氨基酸上，其中所述标记是在所述氨基酸的游离硫醇或氨基上实现的，所述标记是(a)对其环境中极性变化敏感的硫醇或氨基反应荧光团；或 (b) 硫醇反应性自旋标签、同位素或富含同位素的硫醇或氨基反应性标签，使得所述荧光团、自旋标签、同位素或富含同位素的标签不抑制激酶的催化活性，也不干扰激酶的稳定性。本发明还涉及一种筛选激酶抑制剂的方法、一种确定配体结合动力学和/或激酶抑制剂解离动力学的方法，以及一种利用本发明的激酶生成适合筛选激酶抑制剂的突变激酶的方法。
• Kinases labeled in the C helix for the screening of inhibitors
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2505572A1

  公开（公告）日：2012-10-03

  The present invention relates to a kinase containing exactly one label in the C helix, (a) wherein said label is a fluorophore, a spin label or an isotope label, (a)(i) wherein said fluorophore and said spin label are covalently bound to a thiol group or side chain amino group of an amino acid residue of said C helix, (a)(ii) wherein said isotope label is a moiety comprising one or more atoms which are isotopes with non-zero nuclear spin, said moiety being covalently bound to a thiol group or side chain amino group of an amino acid residue of said C helix, or said isotope label is an amino acid residue of said C helix, said amino acid residue comprising one or more atoms which are isotopes with non-zero nuclear spin, wherein said isotopes with non-zero nuclear spin are enriched as compared to the natural occurrence thereof.

  本发明涉及一种激酶，该激酶在C螺旋中恰好含有一个标签，(a)其中所述标签是荧光团、自旋标签或同位素标签，(a)(i)其中所述荧光团和所述自旋标签与所述C螺旋的氨基酸残基的硫醇基团或侧链氨基共价结合，(a)(ii)其中所述同位素标签是由一个或多个原子组成的分子，这些原子是具有非零核自旋的同位素、所述分子与所述 C 螺旋的氨基酸残基的硫醇基或侧链氨基共价结合，或所述同位素标记是所述 C 螺旋的氨基酸残基，所述氨基酸残基包括一个或多个核自旋为非零的同位素原子，其中所述核自旋为非零的同位素与天然存在的同位素相比是富集的。
• Labeled phosphatases for the screening of inhibitors
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2565276A1

  公开（公告）日：2013-03-06

  The present invention relates to a protein phosphatase containing exactly one label in (a) a structural element of said protein phosphatase, said structural element being selected from (a)(i) the C-terminal helix; and (a)(ii) the WPD loop; (b) wherein said label is a fluorophore, a spin label or an isotope label, (b)(i) wherein said fluorophore and said spin label are covalently bound to a thiol group or side chain amino group of an amino acid residue of said structural element, (b)(ii) wherein said isotope label is a moiety comprising one or more atoms which are isotopes with non-zero nuclear spin, said moiety being covalently bound to a thiol group or side chain amino group of an amino acid residue of said structural element, or said isotope label is an amino acid residue of said structural element, said amino acid residue comprising one or more atoms which are isotopes with non-zero nuclear spin, wherein said isotopes with non-zero nuclear spin are enriched as compared to the natural occurrence thereof.

  本发明涉及一种蛋白磷酸酶，在(a)所述蛋白磷酸酶的结构元件中恰好含有一个标签，所述结构元件选自(a)(i)C-末端螺旋；和(a)(ii)WPD环；(b) 其中所述标签是荧光团、自旋标签或同位素标签，(b)(i) 其中所述荧光团和自旋标签与所述结构单元的氨基酸残基的硫醇基或侧链氨基共价结合，(b)(ii) 其中所述同位素标签是由一个或多个原子组成的分子，这些原子是核自旋不为零的同位素、所述分子与所述结构元素的氨基酸残基的硫醇基或侧链氨基共价结合，或所述同位素标记是所述结构元素的氨基酸残基，所述氨基酸残基包括一个或多个核自旋为非零的同位素原子，其中所述核自旋为非零的同位素与天然存在的同位素相比是富集的。
• BIOMETRIC MEMBRANES WITH VESICLES COMPRISIN AQUAPORIN AND USES THEREOF
  申请人：Aquaporin A/S

  公开号：EP2977097A1

  公开（公告）日：2016-01-27

  A liquid membrane system is disclosed in the form of a biochannel containing bulk liquid membrane (BLM), biochannel containing emulsion liquid membrane (ELM), and biochannel containing supported (immobilised) liquid membrane (SLM), or a combination thereof, wherein said liquid membrane system is based on vesicles formed from amphiphilic compounds such as lipids forming a bilayer wherein biochannels have been incorporated and wherein said vesicles further contain a stabilising oil phase. The uses of the membrane system include water extraction from liquid aqueous media by forward osmosis, e.g. for desalination of salt water.

  本发明公开了一种液膜系统，其形式包括含生物通道的块状液膜（BLM）、含生物通道的乳状液膜（ELM）和含生物通道的支撑（固定）液膜（SLM），或其组合，其中所述液膜系统基于由两亲性化合物（如脂质）形成的囊泡，这些两亲性化合物形成双分子层，其中包含生物通道，所述囊泡还包含稳定油相。膜系统的用途包括通过正渗透从液态水介质中提取水，例如用于盐水脱盐。