niflumic acid

• 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: niflumic acid
• 英文别名: 2-(3-Trifluoromethyl)anilino nicotinic acid；2-[2-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
• 化学式: C₁₃H₉F₃N₂O₂
• 分子量: 282.222
• InChiKey: AVOIYIHMUQOMLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  niflumic acid 、 1-羟甲基咪唑 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 以22%的产率得到Imidazol-1-ylmethyl 2-[2-(trifluoromethyl)anilino]pyridine-3-carboxylate
  参考文献：
  名称：

  α-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters as prodrugs of carboxylic acid containing drugs

  摘要：

  Synthesis of alpha-(1H-imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters have been reported in 2-3 simple steps. alpha-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters were found to be chemically labile and thus serve as novel prodrugs of carboxylic acids. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.04.121
• 作为产物：
  描述：

  Imidazol-1-ylmethyl 2-[2-(trifluoromethyl)anilino]pyridine-3-carboxylate 在 水 作用下， 以 乙腈 为溶剂， 生成 niflumic acid
  参考文献：
  名称：

  α-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters as prodrugs of carboxylic acid containing drugs

  摘要：

  Synthesis of alpha-(1H-imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters have been reported in 2-3 simple steps. alpha-(1H-Imidazol-1-yl)alkyl (IMIDA) carboxylic acid esters were found to be chemically labile and thus serve as novel prodrugs of carboxylic acids. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.04.121

文献信息

• [EN] A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN<br/>[FR] LIGAND TAUTOMÈRE PERMETTANT UNE HYDROXYLATION C-H BIOMIMÉTIQUE AVEC DE L'OXYGÈNE MOLÉCULAIRE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2022125736A1

  公开（公告）日：2022-06-16

  Disclosed herein is a process for making a compound of formula (2) by (hetero)aromatic C-H hydroxylation of a compound of formula (1): catalyzed by palladium(II) and a bidentate ligand in the presence of O2. The process is useful for instance, in the late-stage modification of medicinally important heterocycles.

  本文公开了一种通过(杂)芳基C-H羟基化化合物的公式(1)制备公式(2)的过程：在氧气存在下，钯(II)和双齿配体催化。该过程在药物重要杂环的后期修饰中非常有用。
• 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。
• ADVANCED DRUG DEVELOPMENT AND MANUFACTURING
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519A2

  公开（公告）日：2009-08-05
• X-RAY FLUORESCENCE ANALYSIS METHOD
  申请人：Los Alamos National Security, LLC

  公开号：EP2084519B1

  公开（公告）日：2012-08-01
• X-ray microscope
  申请人：XRpro Sciences, Inc.

  公开号：EP2511844B1

  公开（公告）日：2015-08-12