(R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-(4-fluoro-3-methylbenzylamino)-N-hydroxyhexanamide | 1043450-72-1

• 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: (R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-(4-fluoro-3-methylbenzylamino)-N-hydroxyhexanamide
• 英文别名: (2R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
• CAS: 1043450-72-1
• 化学式: C₂₂H₂₈F₂N₂O₃
• 分子量: 406.473
• InChiKey: CEPLZQUXHOBLJG-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 potassium cyanide 、 palladium on carbon 、 氢气 、 羟胺 、 三乙酰氧基硼氢化钠 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 水 、 1,2-二氯乙烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 (R)-2-(4-fluoro-3,5-dimethylphenoxy)-6-(4-fluoro-3-methylbenzylamino)-N-hydroxyhexanamide
  参考文献：
  名称：

  Antidotes to anthrax lethal factor intoxication. Part 2: Structural modifications leading to improved in vivo efficacy

  摘要：

  New anthrax lethal factor inhibitors (LFIs) were designed based upon previously identified potent inhibitors 1a and 2. Combining the new core structures with modifications to the C2-side chain yielded analogs with improved efficacy in the rat lethal toxin model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.010

文献信息

• Hydroxamic acid derivatives of phenoxy-acetic acids and analogs useful as therapeutic agents for treating anthrax poisoning
  申请人：Johnson Alan T.

  公开号：US20080188565A1

  公开（公告）日：2008-08-07

  Compounds having the formula wherein the symbols have the meaning described in the specification are hydroxamic acid derivatives of phenoxy-acetic acids and analogs capable of inhibiting the lethal effects of infection by anthrax bacteria and are useful in the treatment of poisoning by anthrax.

  具有以下式的化合物，在该式中符号的含义如规范所述，是苯氧乙酸的羟肟酸衍生物和类似物，能够抑制炭疽细菌感染的致死效果，并且在炭疽中毒的治疗中有用。
• US7879911B2
  申请人：——

  公开号：US7879911B2

  公开（公告）日：2011-02-01
• [EN] HYDROXAMIC ACID DERIVATIVES OF PHENOXY-ACETIC ACIDS AND ANALOGS USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING<br/>[FR] DÉRIVÉS D'ACIDE HYDROXAMIQUE D'ACIDES PHÉNOXY-ACÉTIQUES ET ANALOGUES UTILISÉS COMME AGENTS THÉRAPEUTIQUES POUR TRAITER UN EMPOISONNEMENT PAR LE CHARBON
  申请人：PANTHERA BIOPHARMA LLC

  公开号：WO2009008905A1

  公开（公告）日：2009-01-15

  Compounds having the formula : (I) wherein the symbols have the meaning described in the specification are hydroxamic acid derivatives of phenoxy-acetic acids and analogs capable of inhibiting the lethal effects of infection by anthrax bacteria and are useful in the treatment of poisoning by anthrax.
• Antidotes to anthrax lethal factor intoxication. Part 2: Structural modifications leading to improved in vivo efficacy
  作者：Seongjin Kim、Guan-Sheng Jiao、Mahtab Moayeri、Devorah Crown、Lynne Cregar-Hernandez、Linda McKasson、Stephen A. Margosiak、Stephen H. Leppla、Alan T. Johnson

  DOI：10.1016/j.bmcl.2011.02.010

  日期：2011.4

  New anthrax lethal factor inhibitors (LFIs) were designed based upon previously identified potent inhibitors 1a and 2. Combining the new core structures with modifications to the C2-side chain yielded analogs with improved efficacy in the rat lethal toxin model. (C) 2011 Elsevier Ltd. All rights reserved.