A-3 | 83298-75-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: A-3
• 英文别名: N-(2-aminoethyl)-5-chloronaphthalene-1-sulfonamide
• CAS: 83298-75-3
• 化学式: C₁₂H₁₃ClN₂O₂S
• 分子量: 284.766
• InChiKey: ACIMRXKJKQGBGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  A-3 在 硼烷四氢呋喃络合物 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  [EN] PLANT GROWTH PROMOTERS
  [FR] PROMOTEUR DE CROISSANCE DE PLANTES

  摘要：

  The present invention concerns the use of small molecule DELLA degradation promoters of formula (I) in promoting plant growth.

  公开号：

  WO2022136838A1
• 作为产物：
  描述：

  5-氯-1-萘磺酸 在 五氯化磷 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 A-3
  参考文献：
  名称：

  Discovering Potassium Channel Blockers from Synthetic Compound Database by Using Structure-Based Virtual Screening in Conjunction with Electrophysiological Assay

  摘要：

  Potassium ion (K+) channels are attractive targets for drug discovery because of the essential roles played in biological systems. However, high-throughput screening (HTS) cannot be used to screen K+ channel blockers. To overcome this disadvantage of HTS, we have developed a virtual screening approach for discovering novel blockers of K+ channels. On the basis of a three-dimensional model of the eukaryotic K+ channels, molecular docking-based virtual screening was employed to search the chemical database MDL Available Chemicals Directory (ACD). Compounds were ranked according to their relative binding energy, favorable shape complementarity, and potential to form hydrogen bonds with the outer mouth of the K+ channel model. Twenty candidate compounds selected from the virtual screening were examined using the whole-cell voltage-clamp recording in rat dissociated hippocampal neurons. Among them, six compounds (5, 6, 8, 18-20) potently blocked both the delayed rectifier (I-K) and fast transient K+ currents (I-A). When applied externally, these six compounds preferentially blocked I-K with potencies 2- to 500-fold higher than that of tetraethylammonium chloride. Intracellular application of the six compounds had no effect on both K+ currents. In addition, the interaction models and binding free energy calculations demonstrated that hydrophobic interaction and solvent effects play important roles in the inhibitory activities of these compounds. The results demonstrated that structure-based computer screening strategy could be used to identify novel, structurally diverse compounds targeting the pore binding pocket of the outer mouth of voltage-gated K+ channels. This study provides an alternative way of finding new blockers of voltage-gated K+ channels, while the techniques for high-throughput screening of K+ channel drugs remain in development.

  DOI：

  10.1021/jm060414o

文献信息

• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• CALCIUM CHANNEL BLOCKERS FOR THE TREATMENT OF RIBOSOMAL DISORDERS AND RIBOSOMAPATHIES
  申请人：Children's Medical Center Corporation

  公开号：EP3461482A1

  公开（公告）日：2019-04-03

  The present invention relates generally to methods, compositions and kits for treatment of ribosomal disorders and ribosomopathy, e.g. Diamond Blackfan anemia (DBA). In some embodiments, the invention relates to methods for the use of calmodulin inhibitors and calcium channel blockers for treatment of ribosomal disorders and ribosomopathy, e.g. Diamond Blackfan anemia (DBA).

  本发明一般涉及用于治疗核糖体紊乱和核糖体病（如菱形黑帆贫血症（DBA））的方法、组合物和试剂盒。在某些实施方案中，本发明涉及使用钙调蛋白抑制剂和钙通道阻滞剂治疗核糖体紊乱和核糖体病（如钻石黑范贫血症（DBA））的方法。
• Calmodulin inhibitors for the treatment of ribosomal disorders and ribosomapathies
  申请人：CHILDREN'S MEDICAL CENTER CORPORATION

  公开号：US10420778B2

  公开（公告）日：2019-09-24

  The present invention relates generally to methods, compositions and kits for treatment of ribosomal disorders and ribosomopathy, e.g. Diamond Blackfan anemia (DBA). In some embodiments, the invention relates to methods for the use of calmodulin inhibitors and calcium channel blockers for treatment of ribosomal disorders and ribosomopathy, e.g. Diamond Blackfan anemia (DBA).

  本发明一般涉及用于治疗核糖体紊乱和核糖体病（如菱形黑帆贫血症（DBA））的方法、组合物和试剂盒。在某些实施方案中，本发明涉及使用钙调蛋白抑制剂和钙通道阻滞剂治疗核糖体紊乱和核糖体病（如钻石黑范贫血症（DBA））的方法。
• Methods and compositions for preventing vasospasm
  申请人：Vinten-Johansen Jakob

  公开号：US20060079573A1

  公开（公告）日：2006-04-13

  Methods and compositions for preventing or reducing vascular smooth muscle contraction are provided. Exemplary compositions comprise an MLCK inhibitor, for example wortmannin, in an amount effective to prevent or reduce vascular smooth muscle vasospams by about 90% for at least about 20 minutes. Methods for identifying other modulators of MLCK are also provided.

  提供了防止或减少血管平滑肌收缩的方法和组合物。示例性组合物包含一种 MLCK 抑制剂，例如沃特曼宁，其有效量可在至少约 20 分钟内防止或减少血管平滑肌收缩约 90%。还提供了鉴定 MLCK 其他调节剂的方法。
• Polymer-bound N-hydroxysuccinimide esters: A column-free fluorescent-labeling method
  作者：Miho Katoh、Mikiko Sodeoka

  DOI：10.1016/s0960-894x(99)00091-8

  日期：1999.3

  Polymer-bound N-hydroxysuccinimide esters of 1-pyrenebutyric acid, 6-carboxyfluorescein diacetate, and biotin were efficiently prepared. Column-free fluorescent- and biotin-labeling reactions of various amines using these resins were successfully demonstrated. (C) 1999 Elsevier Science Ltd. All rights reserved.