(R)-6-(4-fluorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)hexanoic acid hydroxyamide | 1043890-44-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-6-(4-fluorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)hexanoic acid hydroxyamide
• 英文别名: (R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide；(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
• CAS: 1043890-44-3
• 化学式: C₂₁H₂₇F₂N₃O₂
• 分子量: 391.461
• InChiKey: RCTYLDJWEDNGIO-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  73.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 potassium cyanide 、 水 、 羟胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (R)-6-(4-fluorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)hexanoic acid hydroxyamide
  参考文献：
  名称：

  Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy

  摘要：

  Sub-nanomolar small molecule inhibitors of anthrax lethal factor have been identified using SAR and Merck L915 (4) as a model compound. One of these compounds (16) provided 100% protection in a rat lethal toxin model of anthrax disease. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.058

文献信息

• Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning
  申请人：Johnson Alan T.

  公开号：US20120157462A1

  公开（公告）日：2012-06-21

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

  具有以下公式的化合物，在说明书中所述的符号具有相应的含义，是苯胺的羟肟酸衍生物，能够抑制炭疽杆菌感染的致命效应，并且在炭疽中毒的治疗中有用。
• US8242174B2
  申请人：——

  公开号：US8242174B2

  公开（公告）日：2012-08-14
• [EN] HYDROXAMIC ACID DERIVATIVES OF ANILINE USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING<br/>[FR] DÉRIVÉS D'ACIDE HYDROXAMIQUE DE L'ANILINE UTILISÉS COMME AGENTS THÉRAPEUTIQUES POUR TRAITER L'EMPOISONNEMENT À L'ANTHRAX
  申请人：PANTHERA BIOPHARNA LLC

  公开号：WO2008094592A1

  公开（公告）日：2008-08-07

  [EN] Compounds having the formula (I), wherein the symbols have the meaning described in the specification are hydroxamic acid derivatives of aniline and capable of inhibiting the lethal effects of infection by anthrax bacteria and are useful in the treatment of poisoning by anthrax.
  [FR] Cette invention a trait à des composés de formule (I), dans laquelle les symboles ont la signification énoncée dans la description, qui sont des dérivés d'acide hydroxamique de l'aniline et qui sont capables d'inhiber les effets mortels de l'infection par la bactérie anthrax. Lesdits composés sont utilisés dans le traitement de l'empoisonnement à l'anthrax.
• Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy
  作者：Guan-Sheng Jiao、Seongjin Kim、Mahtab Moayeri、Lynne Cregar-Hernandez、Linda McKasson、Stephen A. Margosiak、Stephen H. Leppla、Alan T. Johnson

  DOI：10.1016/j.bmcl.2010.08.058

  日期：2010.11

  Sub-nanomolar small molecule inhibitors of anthrax lethal factor have been identified using SAR and Merck L915 (4) as a model compound. One of these compounds (16) provided 100% protection in a rat lethal toxin model of anthrax disease. (C) 2010 Elsevier Ltd. All rights reserved.