3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide | 391209-55-5

• 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: 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide
• 英文别名: PD 0316684；3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide；3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)benzamide
• CAS: 391209-55-5
• 化学式: C₁₅H₁₂F₃IN₂O₃
• 分子量: 452.172
• InChiKey: GQAZGSHVSAGDOJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.802±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P260,P264,P270,P273,P301+P310+P330,P314,P405,P501
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H373,H413
• 储存条件：
  存储条件：室温、避光且干燥环境中保存。

反应信息

• 作为反应物：
  描述：

  3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide 生成 3,4-Difluoro-2-(2-fluoro-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide
  参考文献：
  名称：

  Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids

  摘要：

  本发明涉及氧化酯化的4-碘苯胺基苯基羟肟酸衍生物，以及其药物组合物和使用方法。本发明还涉及氧化酯化的4-碘苯胺基苯基羟肟酸衍生物的晶体形式，药物组合物和使用方法。

  公开号：

  US20040054172A1
• 作为产物：
  描述：

  在 对甲苯磺酸 作用下， 以 甲醇 、 水 为溶剂， 生成 3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide
  参考文献：
  名称：

  The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901

  摘要：

  A novel series of benzhydroxamate esters derived from their precursor anthranilic acids have been prepared and have been identified as potent MEK inhibitors. 2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide, CI-1040, was the first MEK inhibitor to demonstrate in vivo activity in preclinical animal models and subsequently became the first MEK inhibitor to enter clinical trial. CI-1040 suffered however from poor exposure due to its poor solubility and rapid clearance, and as a result, development of the compound was terminated. Optimization of the diphenylamine core and modi. cation of the hydroxamate side chain for cell potency, solubility, and exposure with oral delivery resulted in the discovery of the clinical candidate N-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide PD 0325901. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.054

文献信息

• N-(4-substituted phenyl)-anthranilic acid hydroxamate esters
  申请人：——

  公开号：US20040006245A1

  公开（公告）日：2004-01-08

  The present invention relates to oxygenated esters of 4-substituted-phenylamino benzhydroxamic acid derivatives, pharmaceutical compositions and methods of use thereof.

  本发明涉及氧化酯化的4-取代苯胺基苯基羟肟酸衍生物，以及其药物组合物和使用方法。
• 5-Carboxyfluorescein tagged N-phenylanthranilamide as a tracer reagent for fluorescence polarization: a robust method to screen MAPK pathway allosteric inhibitors
  作者：Z. Nooshin Rezvani、R. John Mayer、Weng C. Chan

  DOI：10.1039/b925042e

  日期：——

  Fluorescence polarization using Nα-(fluorescein-5-carbonyl)-Nε-(N-[2-fluoro-4-iodophenyl]-3,4-difluoroanthraniloyl)lysyl amide is capable of rapidly identifying inhibitor ligands that bind to an allosteric site in MEK1.

  使用Nα-(荧光素-5-羧基)-Nε-(N-[2-氟-4-碘苯基]-3,4-二氟苯甲酰基)赖氨酸酰胺的荧光偏振技术能够快速识别结合到MEK1别构位点的抑制剂配体。
• [EN] DUAL MEK/PI3K INHIBITORS AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS DOUBLES DE MEK/PI3K ET PROCÉDÉS THÉRAPEUTIQUES LES UTILISANT
  申请人：UNIV MICHIGAN

  公开号：WO2014164942A1

  公开（公告）日：2014-10-09

  Dual inhibitors of MEK and PI3K and compositions containing the same are disclosed. Methods of using the dual MEK/PI3K inhibitors in the treatment of diseases and conditions wherein inhibition of MEK and PI3K provides a benefit, like cancers, also are disclosed.

  抑制MEK和PI3K的双重抑制剂和含有它们的组合物已被披露。还披露了在治疗需要抑制MEK和PI3K以获益的疾病和情况中使用双重MEK/PI3K抑制剂的方法，如癌症。
• N-(4 substituted phenyl)-anthranilic acid hydroxamate esters
  申请人：Rewcastle William Gordon

  公开号：US20050137263A1

  公开（公告）日：2005-06-23

  The present invention relates to oxygenated esters of 4-substituted-phenylamino benzhydroxamic acid derivatives, pharmaceutical compositions and methods of use thereof.

  本发明涉及4-取代苯胺苯羟基甲酸衍生物的氧化酯、制药组合物及其使用方法。
• Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids
  申请人：Barrett Douglas Stephen

  公开号：US20050176820A1

  公开（公告）日：2005-08-11

  The present invention relates to oxygenated esters of 4-iodophenylamino benzhydroxamic acid derivatives, pharmaceutical compositions and methods of use thereof. The present invention also relates to crystalline forms of oxygenated esters of 4-iodophenylamino benzhydroxamic acid derivatives, pharmaceutical compositions and methods of use thereof.

  本发明涉及4-碘苯胺苯羟肟酸衍生物的含氧酯、制药组合物及其使用方法。本发明还涉及含氧酯的晶体形式、制药组合物及其使用方法。