3,5-双(乙酰氨基)苯甲酸 | 7743-39-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-双(乙酰氨基)苯甲酸
• 英文名称: 3,5-diacetamidobenzoic acid
• CAS: 7743-39-7
• 化学式: C₁₁H₁₂N₂O₄
• mdl: MFCD00026136
• 分子量: 236.227
• InChiKey: GEDTXYBZWNEYAB-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3,5-双(乙酰氨基)苯甲酸 生成 3-乙酰氨基-5-氨基-2,4,6-三碘苯甲酸
  参考文献：
  名称：

  WO2007/55580

  摘要：

  公开号：
• 作为产物：
  描述：

  3,5-二氨基苯甲酸 生成 3,5-双(乙酰氨基)苯甲酸
  参考文献：
  名称：

  MEYER, M.;CASSEBAUM, H.;DIERBACH, K.

  摘要：

  DOI：

文献信息

• MOLECULARLY IMPRINTED POLYMERS
  申请人：Hearn Milton T. W.

  公开号：US20120052757A1

  公开（公告）日：2012-03-01

  The present invention provides methods of designing molecularly imprinted polymers (MIPs) which have applications in extracting bioactive compounds from a range of bioprocessing feedstocks and wastes. The present invention is further directed to MIPs designed by the methods of the present invention.

  本发明提供了设计分子印迹聚合物（MIPs）的方法，这些方法在从各种生物加工原料和废弃物中提取生物活性化合物方面具有应用。本发明进一步针对由本发明方法设计的MIPs。
• O₂and CO Binding Behavior of Double-Sided Porphyrinatoiron(II) Complexes Modified by Amide Residues
  作者：Teruyuki Komatsu、Shin-ichi Kumamoto、Hiroyuki Nishide、Eishun Tsuchida

  DOI：10.1246/bcsj.66.1640

  日期：1993.6

  New double-sided porphyrinatoiron(II) complexes having a polar cavity which includes an amide moiety (5,10,15-tris[2,6-bis(3,3-dimethylbutyryloxy)phenyl]-20-[2-[N-acetylvalyloxy]-6-(3,3-dimethylbutyryloxy)phenyl]porphinatoiron(II) (1b) and 5,10,15-tris[2,6-bis(3,3-dimethylbutyryloxy)phenyl]-20-[2-[3,5-bis(acetamido)benzoyloxy]-6-(3,3-dimethylbutyryloxy)phenyl]porphinatoiron(II) (2b)) were synthesized. 1H NMR spectroscopy indicated that the amide residues are located on the porphyrin ring plane. The O2 and CO binding affinities of 1b and 2b were higher than those of 5,10,15,20-tetrakis[2,6-bis(3,3-dimethylbutyryloxy)phenyl]porphinatoiron(II) (4b), in response to the local polarity in the cavity. The polar amide residue resulted in a decreased O2 dissociation rate. Thermodynamic parameters for the gaseous ligand bindings to the 2b complex were also determined.

  新的双面卟啉络铁(II)配合物具有一个极性空腔，其中包括一个酰胺分子（5,10,15-三[2,6-双(3,3-二甲基丁酰氧基)苯基]-20-[2-[N-乙酰基缬氨酰氧基]-6-(3、(1b) 和 5,10,15-三[2,6-双(3,3-二甲基丁酰氧基)苯基]-20-[2-[3,5-双(乙酰氨基)苯甲酰氧基]-6-(3,3-二甲基丁酰氧基)苯基]卟吩铁(II) (2b))的合成。1H NMR 光谱显示，酰胺残基位于卟啉环平面上。与 5,10,15,20-四[2,6-双（3,3-二甲基丁酰氧基）苯基]卟吩他铁(II)（4b）相比，1b 和 2b 的 O2 和 CO 结合亲和力更高，这与空腔中的局部极性有关。极性酰胺残基导致氧气解离率降低。此外，还测定了气体配体与 2b 复合物结合的热力学参数。
• Aminoisoxazole derivatives active as kinase inhibitors
  申请人：Cavicchioli Marcello

  公开号：US20050059657A1

  公开（公告）日：2005-03-17

  Compounds (I) which are aminoisoxazole derivatives or pharmaceutically acceptable salts thereof, together with pharmaceutical compositions comprising them are disclosed; these compounds or compositions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, auto-immune diseases and neurodegenerative disorders.

  本发明涉及氨基异噁唑衍生物(I)或其药学上可接受的盐，以及包含它们的药物组合物。这些化合物或组合物在治疗由蛋白激酶活性改变引起和/或相关的疾病方面具有用途，例如癌症、细胞增殖性疾病、阿尔茨海默病、病毒感染、自身免疫性疾病和神经退行性疾病。
• Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Vanotti Ermes

  公开号：US20060264493A1

  公开（公告）日：2006-11-23

  The present invention provides a method for treating diseases caused by and/or associated with an altered protein kinase activity which comprises administering to a mammal in need thereof an effective amount of a tetracyclic pyrazole. The invention also provides specific tetracyclic pyrazole derivatives, useful intermediates, a library comprising at least two of them, a process for their preparation and the pharmaceutical compositions containing them, which are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, viral infections, autoimmune diseases and neurodegenerative disorders.

  本发明提供了一种治疗由改变的蛋白激酶活性引起和/或相关的疾病的方法，包括向需要治疗的哺乳动物中给予有效量的四环吡唑。本发明还提供了特定的四环吡唑衍生物、有用的中间体、包含至少两个四环吡唑衍生物的库、它们的制备方法以及含有它们的药物组合物，这些组合物对于治疗由改变的蛋白激酶活性引起和/或相关的疾病，如癌症、细胞增殖性疾病、病毒感染、自身免疫性疾病和神经退行性疾病非常有用。
• Contrast Agents and Diagnostic Compositions Based on Iodine-Containing Cyanuric Acid Derivatives
  申请人：Axelsson Oskar

  公开号：US20080267884A1

  公开（公告）日：2008-10-30

  The present invention relates to a class of compounds of Formula (I) and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing a cyanuric acid scaffolding moiety allowing for the arrangement of three iodinated phenyl groups bound thereto. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging and to contrast media containing such compounds.

  本发明涉及一类化合物（I）和含有这种化合物的诊断组合物，其中这些化合物是含碘的化合物。更具体地说，这些含碘化合物是化学化合物，含有一种三聚氰酸支架基团，可使三个碘化苯基团与其结合。本发明还涉及将这种诊断组合物用作对比剂在诊断成像中的应用，特别是在X射线成像中，以及含有这种化合物的对比介质。