4-(aminosulfonyl)-N-[(2,3,4,5,6-pentafluorophenyl)methyl]-benzamide | 235088-65-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(aminosulfonyl)-N-[(2,3,4,5,6-pentafluorophenyl)methyl]-benzamide
• 英文别名: N-(4'-sulfamoylbenzoyl)-2,3,4,5,6-pentafluorobenzylamine；n-(2,3,4,5,6-Pentaflouro-benzyl)-4-sulfamoyl-benzamide；N-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-sulfamoylbenzamide
• CAS: 235088-65-0
• 化学式: C₁₄H₉F₅N₂O₃S
• 分子量: 380.295
• InChiKey: LRKSHOLYETXPGY-UHFFFAOYSA-N

物化性质

• 密度：
  1.581±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  97.6
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  α-溴-2,3,4,5,6-五氟甲基苯酸酯 在 dipotassium hydrogenphosphate 、 potassium phtalimide 、 肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 4.5h， 生成 4-(aminosulfonyl)-N-[(2,3,4,5,6-pentafluorophenyl)methyl]-benzamide
  参考文献：
  名称：

  The Pattern of Fluorine Substitution Affects Binding Affinity in a Small Library of Fluoroaromatic Inhibitors for Carbonic Anhydrase

  摘要：

  A library of fluoroaromatic inhibitors of carbonic anhydrase has been found to bind in a manner dependent on both hydrophobicity and the pattern of substitution of the fluoroaromatic ring. All of the compounds in the library bind to the protein with K-d < 3 nM. We have inferred;two distinct binding modes from our data, which suggest two types of interactions that should be considered when designing fluorinated drugs.

  DOI：

  10.1021/ol9905250

文献信息

• Gaba receptor mediated modulation of neurogenesis
  申请人：Braincells, Inc.

  公开号：EP2314289A1

  公开（公告）日：2011-04-27

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on use of a GABA agent, optionally in combination with one or more other neurogenic agents, to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于使用 GABA 制剂（可选择与一种或多种其他神经发生剂结合使用）的组合物和方法，以刺激或激活新神经细胞的形成。
• Modulation of neurogenesis by PDE inhibition
  申请人：Braincells, Inc.

  公开号：EP2377530A2

  公开（公告）日：2011-10-19

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on use of a PDE agent, optionally in combination with one or more other neurogenic agents, to stimulate or activate the formation of new nerve cells.

  本公开描述了通过刺激或增加神经发生来治疗中枢和周围神经系统疾病和病症的方法。本公开包括基于使用 PDE 药剂（可选择与一种或多种其他神经发生剂结合使用）的组合物和方法，以刺激或激活新神经细胞的形成。
• Neurogenesis by modulating angiotensin
  申请人：Braincells, Inc.

  公开号：EP2377531A2

  公开（公告）日：2011-10-19

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The invention includes compositions and methods based on modulating angiotensin activity to stimulate or activate the formation of new nerve cells.

  本发明描述了通过刺激或增加神经发生来治疗中枢和外周神经系统疾病和病症的方法。本发明包括基于调节血管紧张素活性以刺激或激活新神经细胞形成的组合物和方法。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• MODULATION OF NEUROGENESIS BY HDAC INHIBITION
  申请人：Braincells, Inc.

  公开号：EP1937236A2

  公开（公告）日：2008-07-02